data_[La12Pt2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.4723]
_cell_length_b [7.8736]
_cell_length_c [12.7648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6PtAu3]
_chemical_formula_sum '[La12 Pt2 Au6]'
_cell_volume [645.3663]
_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
[
  La  La0  4  0.0859  0.0481  0.2516  1.0
  La  La1  4  0.2317  0.6776  0.0844  1.0
  La  La2  4  0.3838  0.1737  0.0725  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.3249  0.1181  0.7730  1.0
  Au  Au5  2  0.5000  0.0000  0.5000  1.0
]