data_[La6In2Ru2]
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 [P-1]
_cell_length_a [6.3194]
_cell_length_b [6.7770]
_cell_length_c [7.1502]
_cell_angle_alpha [77.9562]
_cell_angle_beta [80.2248]
_cell_angle_gamma [88.9159]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3InRu]
_chemical_formula_sum '[La6 In2 Ru2]'
_cell_volume [295.0854]
_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  2  0.1551  0.6663  0.0517  1.0
  La  La1  2  0.2689  0.6437  0.5418  1.0
  La  La2  2  0.3061  0.1399  0.1933  1.0
  In  In3  2  0.2362  0.1086  0.6944  1.0
  Ru  Ru4  2  0.4408  0.4116  0.8310  1.0
]