data_[Hf12Hg4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7243]
_cell_length_b [7.2290]
_cell_length_c [11.1756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Hg2Pt]
_chemical_formula_sum '[Hf12 Hg4 Pt2]'
_cell_volume [396.7828]
_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
[
  Hf  Hf0  4  0.0764  0.7282  0.9582  1
  Hf  Hf1  4  0.3127  0.1470  0.9608  1
  Hf  Hf2  4  0.3866  0.5425  0.7378  1
  Hg  Hg3  4  0.1162  0.6027  0.2295  1
  Pt  Pt4  2  0.5000  0.0000  0.5000  1
]