data_[La4In4Ru4]
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 [6.8710]
_cell_length_b [8.4999]
_cell_length_c [5.2766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaInRu]
_chemical_formula_sum '[La4 In4 Ru4]'
_cell_volume [307.7269]
_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  0.2336  0.5841  0.2893  1
  In  In1  4  0.2693  0.1594  0.2929  1
  Ru  Ru2  4  0.4351  0.6389  0.8178  1
]