data_[Tl12Hg6Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2779]
_cell_length_b [4.3508]
_cell_length_c [11.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6Hg3Pt]
_chemical_formula_sum '[Tl12 Hg6 Pt2]'
_cell_volume [571.1209]
_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  0.1032  0.7500  0.4507  1
  Tl  Tl1  2  0.1342  0.2500  0.9338  1
  Tl  Tl2  2  0.1782  0.7500  0.1575  1
  Tl  Tl3  2  0.3074  0.2500  0.3555  1
  Tl  Tl4  2  0.3810  0.7500  0.9390  1
  Tl  Tl5  2  0.4978  0.7500  0.2343  1
  Hg  Hg6  2  0.0261  0.7500  0.7413  1
  Hg  Hg7  2  0.2217  0.2500  0.6643  1
  Hg  Hg8  2  0.4032  0.7500  0.5562  1
  Pt  Pt9  2  0.3561  0.2500  0.1056  1
]