data_[La6Y2Ru2]
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 [Pmn2_1]
_cell_length_a [7.8525]
_cell_length_b [6.7195]
_cell_length_c [6.5056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3YRu]
_chemical_formula_sum '[La6 Y2 Ru2]'
_cell_volume [343.2672]
_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  4  0.2498  0.3200  0.9253  1.0
  La  La1  2  0.0000  0.8452  0.9305  1.0
  Y  Y2  2  0.0000  0.1700  0.4266  1.0
  Ru  Ru3  2  0.0000  0.5070  0.1705  1.0
]