data_[Ca2Bi2Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5134]
_cell_length_b [4.1715]
_cell_length_c [7.8255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaBiClO2]
_chemical_formula_sum '[Ca2 Bi2 Cl2 O4]'
_cell_volume [205.5821]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ca  Ca0  2  0.3293  0.2500  0.0788  1.0
  Bi  Bi1  2  0.3243  0.2500  0.5929  1.0
  Cl  Cl2  2  0.0556  0.7500  0.8150  1.0
  O  O3  2  0.4709  0.7500  0.5981  1.0
  O  O4  2  0.4886  0.7500  0.1428  1.0
]