data_[Hg2Pt2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.1906]
_cell_length_b [3.5758]
_cell_length_c [9.0712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgPtS2]
_chemical_formula_sum '[Hg2 Pt2 S4]'
_cell_volume [194.7628]
_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  0.3275  0.0000  0.9075  1.0
  Pt  Pt1  2  0.3373  0.5000  0.4069  1.0
  S  S2  2  0.0541  0.5000  0.5475  1.0
  S  S3  2  0.1204  0.0000  0.2663  1.0
]