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 [P2_1/c]
_cell_length_a [9.8607]
_cell_length_b [7.2320]
_cell_length_c [10.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3BiRu]
_chemical_formula_sum '[La12 Bi4 Ru4]'
_cell_volume [675.8599]
_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  0.1237  0.6700  0.7134  1.0
  La  La1  4  0.3108  0.0868  0.9627  1.0
  La  La2  4  0.4140  0.5578  0.1337  1.0
  Bi  Bi3  4  0.1017  0.2100  0.6242  1.0
  Ru  Ru4  4  0.4114  0.7489  0.8744  1.0
]