data_[Ho12Pd4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4745]
_cell_length_b [7.3657]
_cell_length_c [11.7304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho6Pd2Ru]
_chemical_formula_sum '[Ho12 Pd4 Ru2]'
_cell_volume [469.1608]
_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  0.0993  0.5378  0.7475  1.0
  Ho  Ho1  4  0.2244  0.1791  0.5684  1.0
  Ho  Ho2  4  0.3930  0.6775  0.5645  1.0
  Pd  Pd3  4  0.3116  0.6176  0.2524  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]