data_[Hg2Pt4Se6]
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 [P-3m1]
_cell_length_a [7.5295]
_cell_length_b [7.5295]
_cell_length_c [5.4617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HgPt2Se3]
_chemical_formula_sum '[Hg2 Pt4 Se6]'
_cell_volume [268.1560]
_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
[
  Hg  Hg0  2  0.3333  0.6667  0.3480  1.0
  Pt  Pt1  3  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  6  0.1720  0.3439  0.7678  1.0
]