data_[Ba2Hg5Pt5]
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 [Pmmm]
_cell_length_a [4.5703]
_cell_length_b [5.8669]
_cell_length_c [10.2951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ba2(HgPt)5]
_chemical_formula_sum '[Ba2 Hg5 Pt5]'
_cell_volume [276.0524]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ba  Ba1  1  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.1809  1
  Hg  Hg3  2  0.0000  0.5000  0.3337  1
  Hg  Hg4  1  0.5000  0.0000  0.0000  1
  Pt  Pt5  4  0.5000  0.2518  0.2574  1
  Pt  Pt6  1  0.5000  0.5000  0.5000  1
]