data_[Bi2W2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2300]
_cell_length_b [6.5780]
_cell_length_c [8.5621]
_cell_angle_alpha [96.6045]
_cell_angle_beta [99.9270]
_cell_angle_gamma [104.1792]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiWCl]
_chemical_formula_sum '[Bi2 W2 Cl2]'
_cell_volume [171.3630]
_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  0.0436  0.8784  0.7122  1
  Bi  Bi1  1  0.7414  0.3937  0.5778  1
  W  W2  1  0.6430  0.8177  0.9963  1
  W  W3  1  0.9575  0.5201  0.9152  1
  Cl  Cl4  1  0.2771  0.8687  0.2337  1
  Cl  Cl5  1  0.9011  0.2565  0.0813  1
]