data_[La16Bi2Ru4]
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 [8.8891]
_cell_length_b [14.2370]
_cell_length_c [5.6771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8BiRu2]
_chemical_formula_sum '[La16 Bi2 Ru4]'
_cell_volume [699.9631]
_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  8  0.2045  0.1259  0.0492  1
  La  La1  4  0.0000  0.2507  0.5000  1
  La  La2  4  0.0948  0.5000  0.2946  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  4  0.0000  0.2866  0.0000  1
]