data_[La12Pr4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8519]
_cell_length_b [11.2481]
_cell_length_c [7.5736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrAu3]
_chemical_formula_sum '[La12 Pr4 Au12]'
_cell_volume [838.9573]
_cell_formula_units_Z [4]
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  0.0000  0.1781  0.5000  1
  La  La1  4  0.0000  0.2526  0.0000  1
  La  La2  4  0.1462  0.5000  0.3771  1
  Pr  Pr3  4  0.2410  0.5000  0.8697  1
  Au  Au4  8  0.2437  0.2482  0.7350  1
  Au  Au5  4  0.0658  0.0000  0.8105  1
]