data_[Tl14Hg4Sb4]
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 [Imm2]
_cell_length_a [4.7722]
_cell_length_b [16.2586]
_cell_length_c [9.4157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(HgSb)2]
_chemical_formula_sum '[Tl14 Hg4 Sb4]'
_cell_volume [730.5609]
_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  4  0.0000  0.1479  0.3196  1.0
  Tl  Tl1  4  0.0000  0.1527  0.8959  1.0
  Tl  Tl2  4  0.0000  0.3565  0.1165  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5023  1.0
  Hg  Hg4  2  0.0000  0.0000  0.6395  1.0
  Hg  Hg5  2  0.0000  0.5000  0.8389  1.0
  Sb  Sb6  4  0.0000  0.2812  0.6046  1.0
]