data_[Hg6Te6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5852]
_cell_length_b [6.7500]
_cell_length_c [5.7892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [HgTePt]
_chemical_formula_sum '[Hg6 Te6 Pt6]'
_cell_volume [452.7135]
_cell_formula_units_Z [6]
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  0.1535  0.0655  0.2796  1.0
  Hg  Hg1  2  0.0000  0.5470  0.2173  1.0
  Te  Te2  4  0.1779  0.3480  0.7112  1.0
  Te  Te3  2  0.0000  0.8395  0.7963  1.0
  Pt  Pt4  4  0.1673  0.7113  0.5293  1.0
  Pt  Pt5  2  0.0000  0.2125  0.9463  1.0
]