data_[Ba20Hg8Pt4]
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 [C2/c]
_cell_length_a [19.9064]
_cell_length_b [8.1243]
_cell_length_c [8.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5Hg2Pt]
_chemical_formula_sum '[Ba20 Hg8 Pt4]'
_cell_volume [1427.0080]
_cell_formula_units_Z [4]
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  8  0.0993  0.3791  0.9309  1
  Ba  Ba1  8  0.2169  0.0725  0.3049  1
  Ba  Ba2  4  0.0000  0.0713  0.2500  1
  Hg  Hg3  8  0.1025  0.2080  0.5706  1
  Pt  Pt4  4  0.2500  0.2500  0.0000  1
]