data_[La12In4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0505]
_cell_length_b [6.3503]
_cell_length_c [10.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3InRu]
_chemical_formula_sum '[La12 In4 Ru4]'
_cell_volume [604.8833]
_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  0.1155  0.2323  0.5724  1.0
  La  La1  4  0.1864  0.6925  0.8100  1.0
  La  La2  4  0.4618  0.5813  0.1838  1.0
  In  In3  4  0.3538  0.1459  0.9527  1.0
  Ru  Ru4  4  0.2235  0.6740  0.5756  1.0
]