data_[Tl4Bi4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0136]
_cell_length_b [17.2385]
_cell_length_c [7.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlBiCl4]
_chemical_formula_sum '[Tl4 Bi4 Cl16]'
_cell_volume [984.4669]
_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
[
  Tl  Tl0  4  0.0000  0.3246  0.7500  1.0
  Bi  Bi1  4  0.0000  0.0656  0.7500  1.0
  Cl  Cl2  8  0.1926  0.0544  0.1817  1.0
  Cl  Cl3  8  0.2069  0.1724  0.7484  1.0
]