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 [P-1]
_cell_length_a [3.4215]
_cell_length_b [5.5127]
_cell_length_c [9.0062]
_cell_angle_alpha [105.6013]
_cell_angle_beta [93.1252]
_cell_angle_gamma [91.0153]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiWCl]
_chemical_formula_sum '[Bi2 W2 Cl2]'
_cell_volume [163.2781]
_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  2  0.3012  0.8498  0.8361  1
  W  W1  2  0.2612  0.6294  0.0886  1
  Cl  Cl2  2  0.2466  0.6878  0.3583  1
]