data_[Sn4Bi4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.4147]
_cell_length_b [8.8767]
_cell_length_c [10.3109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SnBiCl5]
_chemical_formula_sum '[Sn4 Bi4 Cl20]'
_cell_volume [1018.0488]
_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
[
  Sn  Sn0  4  0.0195  0.4973  0.2593  1
  Bi  Bi1  4  0.0101  0.0049  0.5054  1
  Cl  Cl2  4  0.0267  0.2983  0.9536  1
  Cl  Cl3  4  0.2359  0.0360  0.6383  1
  Cl  Cl4  4  0.2452  0.4852  0.3526  1
  Cl  Cl5  4  0.4779  0.1962  0.0483  1
  Cl  Cl6  4  0.4979  0.3926  0.7482  1
]