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 [Cm]
_cell_length_a [12.1042]
_cell_length_b [3.8191]
_cell_length_c [12.7193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaY3Ru]
_chemical_formula_sum '[La4 Y12 Ru4]'
_cell_volume [587.3557]
_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  2  0.0874  0.0000  0.5962  1
  La  La1  2  0.3592  0.0000  0.9796  1
  Y  Y2  2  0.0371  0.5000  0.3461  1
  Y  Y3  2  0.0969  0.0000  0.1009  1
  Y  Y4  2  0.1424  0.5000  0.8409  1
  Y  Y5  2  0.3015  0.5000  0.4720  1
  Y  Y6  2  0.3251  0.5000  0.2129  1
  Y  Y7  2  0.3793  0.0000  0.7147  1
  Ru  Ru8  2  0.2032  0.0000  0.3153  1
  Ru  Ru9  2  0.4761  0.5000  0.8798  1
]