data_[Tl12Hg28Sb4]
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 [Cmcm]
_cell_length_a [4.8553]
_cell_length_b [25.0992]
_cell_length_c [11.0845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl3Hg7Sb]
_chemical_formula_sum '[Tl12 Hg28 Sb4]'
_cell_volume [1350.7951]
_cell_formula_units_Z [4]
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  0.0000  0.0727  0.0898  1
  Tl  Tl1  4  0.0000  0.1702  0.7500  1
  Hg  Hg2  8  0.0000  0.2121  0.1061  1
  Hg  Hg3  8  0.0000  0.3327  0.0539  1
  Hg  Hg4  8  0.0000  0.4542  0.0897  1
  Hg  Hg5  4  0.0000  0.3553  0.7500  1
  Sb  Sb6  4  0.0000  0.0412  0.7500  1
]