data_[La2Y2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3912]
_cell_length_b [5.4301]
_cell_length_c [5.8201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaYRu]
_chemical_formula_sum '[La2 Y2 Ru2]'
_cell_volume [169.0435]
_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  0.0522  0.2500  0.7868  1.0
  Y  Y1  2  0.4924  0.2500  0.3170  1.0
  Ru  Ru2  2  0.4169  0.7500  0.1577  1.0
]