data_[Bi4Cl1]
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 [Pm]
_cell_length_a [3.4025]
_cell_length_b [18.0454]
_cell_length_c [10.8416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi4Cl]
_chemical_formula_sum '[Bi4 Cl1]'
_cell_volume [665.5473]
_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  2  0.9828  0.0841  0.7252  1
  Bi  Bi1  1  0.6977  0.0000  0.4830  1
  Bi  Bi2  1  0.7547  0.0000  0.9709  1
  Cl  Cl3  1  0.8267  0.0000  0.2279  1
]