data_[Tl6Hg4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0300]
_cell_length_b [9.5873]
_cell_length_c [7.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl3Hg2Sb]
_chemical_formula_sum '[Tl6 Hg4 Sb2]'
_cell_volume [380.9398]
_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  2  0.0000  0.4150  0.2874  1.0
  Tl  Tl1  2  0.5000  0.0554  0.2709  1.0
  Tl  Tl2  2  0.5000  0.3363  0.6094  1.0
  Hg  Hg3  2  0.0000  0.1715  0.9540  1.0
  Hg  Hg4  2  0.5000  0.3380  0.0149  1.0
  Sb  Sb5  2  0.0000  0.1372  0.5647  1.0
]