data_[Hg4Pt4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [11.9138]
_cell_length_b [3.7609]
_cell_length_c [8.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgPtSe2]
_chemical_formula_sum '[Hg4 Pt4 Se8]'
_cell_volume [380.9987]
_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
[
  Hg  Hg0  4  0.0857  0.5000  0.8076  1.0
  Pt  Pt1  4  0.1508  0.5000  0.3218  1.0
  Se  Se2  4  0.1319  0.0000  0.5012  1.0
  Se  Se3  4  0.1759  0.0000  0.1442  1.0
]