data_[Bi9W6Cl9]
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 [R-3m]
_cell_length_a [7.3278]
_cell_length_b [7.3278]
_cell_length_c [16.6136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Bi3W2Cl3]
_chemical_formula_sum '[Bi9 W6 Cl9]'
_cell_volume [772.5749]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  W  W1  6  0.0000  0.0000  0.2406  1
  Cl  Cl2  6  0.0000  0.0000  0.1042  1
  Cl  Cl3  3  -0.0000  -0.0000  0.5000  1
]