data_[Bi2P2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3755]
_cell_length_b [5.1577]
_cell_length_c [9.4289]
_cell_angle_alpha [103.5484]
_cell_angle_beta [93.7644]
_cell_angle_gamma [107.9273]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiPCl]
_chemical_formula_sum '[Bi2 P2 Cl2]'
_cell_volume [150.1456]
_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
[
  Bi  Bi0  1  0.3696  0.3550  0.9957  1.0
  Bi  Bi1  1  0.5825  0.6106  0.4968  1.0
  P  P2  1  0.2912  0.1180  0.2450  1.0
  P  P3  1  0.6511  0.8221  0.2454  1.0
  Cl  Cl4  1  0.6126  0.8011  0.8645  1.0
  Cl  Cl5  1  0.9303  0.1920  0.6239  1.0
]