data_[Ho6Ni4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2382]
_cell_length_b [5.2511]
_cell_length_c [12.8384]
_cell_angle_alpha [89.7524]
_cell_angle_beta [88.8850]
_cell_angle_gamma [60.3792]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho3(NiRu2)2]
_chemical_formula_sum '[Ho6 Ni4 Ru8]'
_cell_volume [306.9232]
_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
[
  Ho  Ho0  2  0.0059  0.9969  0.1252  1.0
  Ho  Ho1  2  0.3313  0.3395  0.2060  1.0
  Ho  Ho2  2  0.3357  0.3296  0.4587  1.0
  Ni  Ni3  2  0.1660  0.6675  0.6665  1.0
  Ni  Ni4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  1  0.5000  0.5000  0.0000  1.0
  Ru  Ru6  2  0.1701  0.1659  0.6677  1.0
  Ru  Ru7  2  0.3274  0.3374  0.8365  1.0
  Ru  Ru8  2  0.3357  0.8336  0.3320  1.0
  Ru  Ru9  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru10  1  0.0000  0.5000  0.0000  1.0
]