data_[Tl24Hg10Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8123]
_cell_length_b [9.7318]
_cell_length_c [6.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Hg5Bi2]
_chemical_formula_sum '[Tl24 Hg10 Bi4]'
_cell_volume [1254.8052]
_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  0.1147  0.2225  0.7187  1.0
  Tl  Tl1  8  0.1841  0.2951  0.2204  1.0
  Tl  Tl2  4  0.0703  0.5000  0.4101  1.0
  Tl  Tl3  4  0.0784  0.0000  0.1216  1.0
  Hg  Hg4  4  0.2121  0.0000  0.5032  1.0
  Hg  Hg5  4  0.2256  0.5000  0.8908  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi7  4  0.0000  0.3295  0.0000  1.0
]