data_[Tl4Hg2Bi5]
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 [P2/m]
_cell_length_a [8.7928]
_cell_length_b [3.3612]
_cell_length_c [11.8971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4Hg2Bi5]
_chemical_formula_sum '[Tl4 Hg2 Bi5]'
_cell_volume [350.2877]
_cell_formula_units_Z [1]
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  0.1531  0.5000  0.8987  1
  Tl  Tl1  2  0.2933  0.5000  0.4519  1
  Hg  Hg2  2  0.0529  0.0000  0.6350  1
  Bi  Bi3  2  0.2197  0.0000  0.1771  1
  Bi  Bi4  2  0.4338  0.0000  0.7202  1
  Bi  Bi5  1  0.5000  0.0000  0.0000  1
]