data_[Ba8Hg1Pt1Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7053]
_cell_length_b [9.8818]
_cell_length_c [7.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8HgPtAu2]
_chemical_formula_sum '[Ba8 Hg1 Pt1 Au2]'
_cell_volume [606.0229]
_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  4  0.2234  0.2294  0.1744  1.0
  Ba  Ba1  2  0.2652  0.0000  0.6860  1.0
  Ba  Ba2  2  0.2797  0.5000  0.6680  1.0
  Hg  Hg3  1  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.5000  0.2460  0.5000  1.0
]