data_[Ba12Hg2Pt2]
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 [P-31c]
_cell_length_a [8.0495]
_cell_length_b [8.0495]
_cell_length_c [15.4457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [Ba6HgPt]
_chemical_formula_sum '[Ba12 Hg2 Pt2]'
_cell_volume [866.7047]
_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
[
  Ba  Ba0  12  0.0088  0.3229  0.6193  1
  Hg  Hg1  2  0.3333  0.6667  0.2500  1
  Pt  Pt2  2  0.0000  0.0000  0.0000  1
]