data_[La12Pd6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3950]
_cell_length_b [4.1299]
_cell_length_c [13.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6Pd3Au]
_chemical_formula_sum '[La12 Pd6 Au2]'
_cell_volume [595.5473]
_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  2  0.1151  0.2500  0.4312  1
  La  La1  2  0.1586  0.7500  0.9079  1
  La  La2  2  0.1711  0.7500  0.2004  1
  La  La3  2  0.2568  0.7500  0.6802  1
  La  La4  2  0.4357  0.2500  0.0987  1
  La  La5  2  0.4745  0.2500  0.6159  1
  Pd  Pd6  2  0.0979  0.2500  0.0392  1
  Pd  Pd7  2  0.3155  0.7500  0.4564  1
  Pd  Pd8  2  0.3584  0.2500  0.8579  1
  Au  Au9  2  0.0665  0.2500  0.7177  1
]