data_[La4Y4Ru4]
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/c]
_cell_length_a [6.6512]
_cell_length_b [6.9482]
_cell_length_c [10.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaYRu]
_chemical_formula_sum '[La4 Y4 Ru4]'
_cell_volume [355.5636]
_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  0.3445  0.5706  0.1114  1
  Y  Y1  4  0.1318  0.0701  0.8909  1
  Ru  Ru2  4  0.1760  0.2470  0.1639  1
]