data_[Ba12Li4Pt2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1681]
_cell_length_b [9.1714]
_cell_length_c [14.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Li2PtAu]
_chemical_formula_sum '[Ba12 Li4 Pt2 Au2]'
_cell_volume [931.2769]
_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  0.1324  0.5212  0.2441  1.0
  Ba  Ba1  4  0.2207  0.1957  0.0508  1.0
  Ba  Ba2  4  0.3688  0.6799  0.0504  1.0
  Li  Li3  4  0.3054  0.5974  0.7490  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.5000  0.0000  0.0000  1.0
]