data_[Ge12Bi4Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.3759]
_cell_length_b [9.8205]
_cell_length_c [13.3077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ge3BiCl9]
_chemical_formula_sum '[Ge12 Bi4 Cl36]'
_cell_volume [1825.7918]
_cell_formula_units_Z [4]
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
[
  Ge  Ge0  4  0.0276  0.4945  0.3111  1
  Ge  Ge1  4  0.0732  0.1839  0.1472  1
  Ge  Ge2  4  0.3933  0.6479  0.2934  1
  Bi  Bi3  4  0.2553  0.1394  0.9911  1
  Cl  Cl4  4  0.0109  0.3150  0.4313  1
  Cl  Cl5  4  0.0735  0.0358  0.2850  1
  Cl  Cl6  4  0.1382  0.3898  0.9837  1
  Cl  Cl7  4  0.1520  0.6250  0.7977  1
  Cl  Cl8  4  0.2198  0.0960  0.1783  1
  Cl  Cl9  4  0.2595  0.2471  0.8041  1
  Cl  Cl10  4  0.3481  0.0818  0.5326  1
  Cl  Cl11  4  0.3997  0.2688  0.1367  1
  Cl  Cl12  4  0.4312  0.4848  0.4301  1
]