data_[La6Pd2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4398]
_cell_length_b [6.5433]
_cell_length_c [7.7276]
_cell_angle_alpha [78.3675]
_cell_angle_beta [89.5051]
_cell_angle_gamma [64.7512]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3PdRu]
_chemical_formula_sum '[La6 Pd2 Ru2]'
_cell_volume [287.3580]
_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  0.0847  0.0079  0.7723  1.0
  La  La1  2  0.2311  0.3110  0.3383  1.0
  La  La2  2  0.4358  0.3433  0.8466  1.0
  Ru  Ru3  2  0.1114  0.6262  0.0373  1.0
  Pd  Pd4  2  0.3109  0.7163  0.5026  1.0
]