data_[Bi8W48Cl120]
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 [C2/c]
_cell_length_a [13.1301]
_cell_length_b [13.4659]
_cell_length_c [26.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi(W2Cl5)3]
_chemical_formula_sum '[Bi8 W48 Cl120]'
_cell_volume [4742.3993]
_cell_formula_units_Z [8]
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  8  0.2164  0.4507  0.6083  1
  W  W1  8  0.1010  0.0201  0.1140  1
  W  W2  8  0.1257  0.4287  0.8530  1
  W  W3  8  0.2076  0.1813  0.1351  1
  W  W4  8  0.2116  0.0318  0.1981  1
  W  W5  8  0.2337  0.4106  0.3729  1
  W  W6  8  0.2365  0.4394  0.9363  1
  Cl  Cl7  8  0.0542  0.1344  0.1826  1
  Cl  Cl8  8  0.0587  0.3972  0.6711  1
  Cl  Cl9  8  0.0778  0.0148  0.9140  1
  Cl  Cl10  8  0.0811  0.4549  0.4214  1
  Cl  Cl11  8  0.1041  0.1643  0.0553  1
  Cl  Cl12  8  0.1089  0.1207  0.6751  1
  Cl  Cl13  8  0.1164  0.3515  0.5434  1
  Cl  Cl14  8  0.1289  0.4289  0.2930  1
  Cl  Cl15  8  0.1361  0.2858  0.9124  1
  Cl  Cl16  8  0.1518  0.3558  0.1464  1
  Cl  Cl17  8  0.1619  0.0939  0.5473  1
  Cl  Cl18  8  0.1740  0.0143  0.2863  1
  Cl  Cl19  8  0.1830  0.2303  0.3726  1
  Cl  Cl20  8  0.1832  0.3136  0.7863  1
  Cl  Cl21  8  0.2008  0.4092  0.0249  1
]