data_[Y12Ho4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9994]
_cell_length_b [3.9313]
_cell_length_c [12.8249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y3HoRu]
_chemical_formula_sum '[Y12 Ho4 Ru4]'
_cell_volume [556.6584]
_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
[
  Y  Y0  2  0.0138  0.0000  0.9017  1
  Y  Y1  2  0.0467  0.5000  0.1457  1
  Y  Y2  2  0.0774  0.5000  0.5232  1
  Y  Y3  2  0.2114  0.0000  0.3824  1
  Y  Y4  2  0.2398  0.0000  0.7625  1
  Y  Y5  2  0.4025  0.5000  0.6187  1
  Ho  Ho6  2  0.2702  0.5000  0.0071  1
  Ho  Ho7  2  0.3857  0.5000  0.2879  1
  Ru  Ru8  2  0.0755  0.5000  0.7680  1
  Ru  Ru9  2  0.2161  0.0000  0.1444  1
]