data_[Tl4Ag4Bi4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [8.8679]
_cell_length_b [12.6371]
_cell_length_c [10.2396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgBiCl5]
_chemical_formula_sum '[Tl4 Ag4 Bi4 Cl20]'
_cell_volume [1066.0816]
_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  0.3535  0.2500  1
  Ag  Ag1  4  0.0000  0.3103  0.7500  1
  Bi  Bi2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1136  0.1968  0.5985  1
  Cl  Cl4  8  0.1848  0.4414  0.9402  1
  Cl  Cl5  4  0.0000  0.0816  0.2500  1
]