data_[Tl7Hg3Bi2]
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 [4.9325]
_cell_length_b [4.8991]
_cell_length_c [16.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl7Hg3Bi2]
_chemical_formula_sum '[Tl7 Hg3 Bi2]'
_cell_volume [408.6938]
_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  0.0595  0.5000  0.1491  1.0
  Tl  Tl1  2  0.2318  0.5000  0.4319  1.0
  Tl  Tl2  2  0.4536  0.0000  0.8438  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0925  0.0000  0.6354  1.0
  Hg  Hg5  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi6  2  0.3941  0.5000  0.7186  1.0
]