data_[La16Bi4Ru2]
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 [19.1042]
_cell_length_b [5.6779]
_cell_length_c [6.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Bi2Ru]
_chemical_formula_sum '[La16 Bi4 Ru2]'
_cell_volume [716.5306]
_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  0.0042  0.0000  0.2274  1.0
  La  La1  4  0.0865  0.5000  0.7541  1.0
  La  La2  4  0.1399  0.5000  0.3124  1.0
  La  La3  4  0.2199  0.0000  0.1380  1.0
  Bi  Bi4  4  0.1691  0.0000  0.6244  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]