data_[Y6Ho4Ru4]
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 [C2/m]
_cell_length_a [11.9845]
_cell_length_b [3.8938]
_cell_length_c [8.4847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(HoRu)2]
_chemical_formula_sum '[Y6 Ho4 Ru4]'
_cell_volume [363.8418]
_cell_formula_units_Z [2]
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  4  0.1215  0.5000  0.4291  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  4  0.1666  0.0000  0.8132  1.0
  Ru  Ru3  4  0.1804  0.0000  0.2189  1.0
]