data_[Bi1Cl11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8109]
_cell_length_b [7.8509]
_cell_length_c [8.2108]
_cell_angle_alpha [91.8001]
_cell_angle_beta [115.5505]
_cell_angle_gamma [96.3737]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiCl11]
_chemical_formula_sum '[Bi1 Cl11]'
_cell_volume [449.6923]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.5000  1.0
  Cl  Cl1  2  0.0569  0.1938  0.5456  1.0
  Cl  Cl2  2  0.2247  0.5337  0.3568  1.0
  Cl  Cl3  2  0.2819  0.5931  0.8297  1.0
  Cl  Cl4  2  0.3022  0.9711  0.2091  1.0
  Cl  Cl5  2  0.4982  0.8152  0.8076  1.0
  Cl  Cl6  1  0.0000  0.0000  0.0000  1.0
]