data_[Tl6Hg2Pt1Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8574]
_cell_length_b [6.8667]
_cell_length_c [6.9772]
_cell_angle_alpha [91.2782]
_cell_angle_beta [114.9398]
_cell_angle_gamma [99.1701]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl6Hg2PtSe]
_chemical_formula_sum '[Tl6 Hg2 Pt1 Se1]'
_cell_volume [292.6269]
_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  1  0.0511  0.3726  0.9223  1.0
  Tl  Tl1  1  0.0664  0.8630  0.7894  1.0
  Tl  Tl2  1  0.0744  0.7245  0.2854  1.0
  Tl  Tl3  1  0.0894  0.2293  0.4328  1.0
  Tl  Tl4  1  0.5091  0.6540  0.7483  1.0
  Tl  Tl5  1  0.5415  0.2594  0.0328  1.0
  Hg  Hg6  1  0.5542  0.8281  0.2203  1.0
  Hg  Hg7  1  0.5619  0.0833  0.5804  1.0
  Pt  Pt8  1  0.8359  0.0072  0.0183  1.0
  Se  Se9  1  0.7182  0.4846  0.4710  1.0
]