data_[La12Bi4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1775]
_cell_length_b [15.3572]
_cell_length_c [7.8522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3BiRu]
_chemical_formula_sum '[La12 Bi4 Ru4]'
_cell_volume [624.3458]
_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  0.2468  0.8079  1.0
  La  La1  4  0.5000  0.1287  0.5346  1.0
  La  La2  2  0.0000  0.0000  0.2447  1.0
  La  La3  2  0.0000  0.0000  0.8495  1.0
  Bi  Bi4  4  0.5000  0.1419  0.0566  1.0
  Ru  Ru5  4  0.0000  0.1027  0.5548  1.0
]