data_[Ba8Hg16Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.1142]
_cell_length_b [8.2769]
_cell_length_c [6.0710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaHg2Pt]
_chemical_formula_sum '[Ba8 Hg16 Pt8]'
_cell_volume [859.9742]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  4  0.1020  0.2500  0.7573  1
  Ba  Ba1  4  0.1393  0.7500  0.5334  1
  Hg  Hg2  8  0.0380  0.0571  0.2505  1
  Hg  Hg3  8  0.2124  0.5509  0.0391  1
  Pt  Pt4  4  0.0717  0.7500  0.0184  1
  Pt  Pt5  4  0.1856  0.2500  0.2731  1
]