data_[Tl16Ag2Bi4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5846]
_cell_length_b [7.1057]
_cell_length_c [6.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8AgBi2]
_chemical_formula_sum '[Tl16 Ag2 Bi4]'
_cell_volume [728.6454]
_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  8  0.0686  0.2681  0.7373  1.0
  Tl  Tl1  4  0.1501  0.5000  0.3196  1.0
  Tl  Tl2  4  0.2285  0.0000  0.0435  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1310  0.0000  0.4055  1.0
]