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 [Cmcm]
_cell_length_a [7.5944]
_cell_length_b [9.4787]
_cell_length_c [8.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaY3Ru]
_chemical_formula_sum '[La4 Y12 Ru4]'
_cell_volume [620.0222]
_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  0.0000  0.2887  0.2500  1.0
  Y  Y1  8  0.2292  0.0000  0.0000  1.0
  Y  Y2  4  0.0000  0.2819  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0078  0.2500  1.0
]