data_[Tl2Bi2Cl6]
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 [P2/m]
_cell_length_a [8.9228]
_cell_length_b [3.7140]
_cell_length_c [10.8739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlBiCl3]
_chemical_formula_sum '[Tl2 Bi2 Cl6]'
_cell_volume [344.8533]
_cell_formula_units_Z [2]
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  2  0.2844  0.0000  0.8297  1.0
  Bi  Bi1  2  0.3149  0.5000  0.3212  1.0
  Cl  Cl2  2  0.0063  0.5000  0.2464  1.0
  Cl  Cl3  2  0.3515  0.5000  0.5888  1.0
  Cl  Cl4  2  0.3599  0.5000  0.0897  1.0
]