data_[La12Bi2Ru4]
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 [C2/m]
_cell_length_a [11.4973]
_cell_length_b [4.9775]
_cell_length_c [9.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6BiRu2]
_chemical_formula_sum '[La12 Bi2 Ru4]'
_cell_volume [541.3167]
_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  4  0.0989  0.0000  0.8639  1
  La  La1  4  0.1029  0.5000  0.1732  1
  La  La2  4  0.2070  0.5000  0.6151  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  4  0.2433  0.5000  0.8788  1
]