#=============================================================================
data_global
#=============================================================================
_audit_creation_method              expo2006

_symmetry_space_group_name_H-M      'p -1'

_cell_length_a                           8.22526
_cell_length_b                          10.43879
_cell_length_c                           6.25096
_cell_angle_alpha                        105.959
_cell_angle_beta                         107.512
_cell_angle_gamma                         94.934

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    _atom_site_adp_type
Ca       Ca1           0.1822     0.7686     0.8292       0.0526     1.0000 Uiso
O        O1           -0.0384     0.8935     0.6907       0.0705     1.0000 Uiso
O        O2           -0.2853     0.8692     0.4189       0.0533     1.0000 Uiso
O        O3            0.0262     0.6753     0.3919       0.0724     1.0000 Uiso
O        O4            0.0204     0.8311     0.1105       0.0029     1.0000 Uiso
O        O5           -0.0163     0.5848    -0.1804       0.0124     1.0000 Uiso
O        O6           -0.3046     0.5338    -0.2175       0.0436     1.0000 Uiso
O        O7            0.3756     0.7279     1.1886       0.0447     1.0000 Uiso
O        O8            0.3287     0.8766     0.6230       0.0502     1.0000 Uiso
O        O9            0.3228     1.0038     1.1116       0.0108     1.0000 Uiso
O        O10           0.3402     0.5996     0.6745       0.0547     1.0000 Uiso
C        C1           -0.1354     0.8478     0.4921       0.0324     1.0000 Uiso
C        C2           -0.1088     0.7066     0.3330       0.1745     1.0000 Uiso
C        C3           -0.1521     0.7456     0.0818       0.0162     1.0000 Uiso
C        C4           -0.1165     0.6250    -0.0965       0.0157     1.0000 Uiso
H        H1            0.4510     0.6770     1.1430       0.0760     1.0000 Uiso
H        H2            0.2510     0.6640     1.1580       0.0760     1.0000 Uiso
H        H3            0.2950     0.9200     0.7270       0.0760     1.0000 Uiso
H        H4            0.2640     0.8750     0.4840       0.0760     1.0000 Uiso
H        H5            0.2890     1.0530     1.2390       0.0760     1.0000 Uiso
H        H6            0.2590     1.0340     1.0040       0.0760     1.0000 Uiso
H        H7            0.3800     0.5510     0.5830       0.0760     1.0000 Uiso
H        H8            0.2930     0.5440     0.7360       0.0760     1.0000 Uiso
H        H9           -0.2170     0.6390     0.2610       0.0760     1.0000 Uiso
H        H10          -0.2480     0.7790     0.0300       0.0760     1.0000 Uiso
H        H11           0.0270     0.6050     0.3790       0.0760     1.0000 Uiso
H        H12           0.0130     0.9090     0.2130       0.0760     1.0000 Uiso
