data_[La2In3Ru2]
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 [4.4726]
_cell_length_b [5.4174]
_cell_length_c [7.8376]
_cell_angle_alpha [69.8066]
_cell_angle_beta [76.1546]
_cell_angle_gamma [71.1393]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2In3Ru2]
_chemical_formula_sum '[La2 In3 Ru2]'
_cell_volume [166.9086]
_cell_formula_units_Z [1]
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  0.1089  0.4849  0.2233  1.0
  In  In1  2  0.3776  0.8219  0.4431  1.0
  In  In2  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru3  2  0.0957  0.9462  0.7983  1.0
]