data_[La4Y12Ru4]
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 [C2/m]
_cell_length_a [12.4200]
_cell_length_b [3.6507]
_cell_length_c [13.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaY3Ru]
_chemical_formula_sum '[La4 Y12 Ru4]'
_cell_volume [587.6498]
_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  0.1404  0.0000  0.0432  1.0
  Y  Y1  4  0.0267  0.5000  0.8034  1.0
  Y  Y2  4  0.1089  0.0000  0.4427  1.0
  Y  Y3  4  0.2308  0.0000  0.7149  1.0
  Ru  Ru4  4  0.0761  0.5000  0.6112  1.0
]