data_Ca3WO5Cl2
_audit_creation_date              2022-01-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PNAM'
_symmetry_Int_Tables_number       62
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,y+1/2,-z
  -x,-y,z+1/2
  x+1/2,-y+1/2,-z+1/2
  -x,-y,-z
  x+1/2,-y+1/2,z
  x,y,-z+1/2
  -x+1/2,y+1/2,z+1/2
_cell_length_a                    11.8007
_cell_length_b                    11.0789
_cell_length_c                    5.5574
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O2     O     0.24473   0.20051   0.47804   0.00000  Uiso   1.00
O3     O     0.23679  -0.03193   0.48328   0.00000  Uiso   1.00
W1     W     0.19539   0.08577   0.25000   0.00000  Uiso   1.00
Ca2    Ca    0.36261   0.33549   0.25000   0.00000  Uiso   1.00
Cl1    Cl    0.47214   0.08159   0.25000   0.00000  Uiso   1.00
O1     O     0.04885   0.09301   0.25000   0.00000  Uiso   1.00
Ca1    Ca    0.34316   0.08059   0.75000   0.00000  Uiso   1.00
Ca3    Ca    0.16766   0.33030   0.75000   0.00000  Uiso   1.00
Cl2    Cl    0.46803   0.28779   0.75000   0.00000  Uiso   1.00
