data_[Ba4Bi2Pt2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7101]
_cell_length_b [5.6298]
_cell_length_c [9.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.9379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2BiPtAu6]
_chemical_formula_sum '[Ba4 Bi2 Pt2 Au12]'
_cell_volume [547.5433]
_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  4  0.2333  0.5000  0.7659  1.0
  Bi  Bi1  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.0080  0.2475  0.2680  1.0
  Au  Au4  4  0.2445  0.0000  0.5899  1.0
]