data_[La6Bi2Ru2]
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 [Pm]
_cell_length_a [8.6907]
_cell_length_b [4.6551]
_cell_length_c [8.8825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3BiRu]
_chemical_formula_sum '[La6 Bi2 Ru2]'
_cell_volume [314.4421]
_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  1  0.0208  0.5000  0.9272  1
  La  La1  1  0.2231  0.5000  0.4938  1
  La  La2  1  0.3454  0.0000  0.2325  1
  La  La3  1  0.5839  0.5000  0.0707  1
  La  La4  1  0.6173  0.0000  0.7698  1
  La  La5  1  0.8139  0.0000  0.5039  1
  Bi  Bi6  1  0.2480  0.0000  0.7999  1
  Bi  Bi7  1  0.9363  0.0000  0.1950  1
  Ru  Ru8  1  0.4936  0.5000  0.3379  1
  Ru  Ru9  1  0.7177  0.5000  0.6693  1
]