data_[Bi5Cl4]
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 [7.8885]
_cell_length_b [15.0000]
_cell_length_c [12.7028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi5Cl4]
_chemical_formula_sum '[Bi5 Cl4]'
_cell_volume [1486.8647]
_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  0.0054  0.5000  0.2893  1
  Bi  Bi1  1  0.6690  0.5000  0.1541  1
  Bi  Bi2  1  0.8014  0.5000  0.4618  1
  Bi  Bi3  1  0.8034  0.5000  0.7417  1
  Bi  Bi4  1  0.8917  0.5000  0.9706  1
  Cl  Cl5  1  0.0803  0.5000  0.6153  1
  Cl  Cl6  1  0.2108  0.5000  0.0373  1
  Cl  Cl7  1  0.4850  0.5000  0.3227  1
  Cl  Cl8  1  0.5292  0.5000  0.8358  1
]