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 [C2/m]
_cell_length_a [11.7276]
_cell_length_b [8.5800]
_cell_length_c [8.0577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.4226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3HoRu]
_chemical_formula_sum '[Y12 Ho4 Ru4]'
_cell_volume [588.8747]
_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  8  0.2476  0.8028  0.2035  1
  Y  Y1  4  0.0524  0.5000  0.2587  1
  Ho  Ho2  4  0.0525  0.0000  0.3489  1
  Ru  Ru3  4  0.2479  0.0000  0.8703  1
]