data_[Ba12Pt2Au4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9122]
_cell_length_b [8.7629]
_cell_length_c [14.1804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6PtAu2Cl]
_chemical_formula_sum '[Ba12 Pt2 Au4 Cl2]'
_cell_volume [827.9428]
_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  0.1060  0.1727  0.9282  1.0
  Ba  Ba1  4  0.2572  0.6902  0.9233  1.0
  Ba  Ba2  4  0.4119  0.0473  0.7575  1.0
  Pt  Pt3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  4  0.1933  0.1117  0.2484  1.0
  Cl  Cl5  2  0.0000  0.0000  0.5000  1.0
]