data_[Ho12Ir4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6259]
_cell_length_b [7.2344]
_cell_length_c [11.3410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho6Ir2Ru]
_chemical_formula_sum '[Ho12 Ir4 Ru2]'
_cell_volume [455.5862]
_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  4  0.0794  0.5379  0.7426  1.0
  Ho  Ho1  4  0.2291  0.1670  0.5746  1.0
  Ho  Ho2  4  0.3934  0.6733  0.5693  1.0
  Ir  Ir3  4  0.3188  0.6314  0.2793  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]