data_[Ho10Ru2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.2829]
_cell_length_b [11.6461]
_cell_length_c [4.6812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ho5RuAu2]
_chemical_formula_sum '[Ho10 Ru2 Au4]'
_cell_volume [397.0531]
_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  0.1530  0.7939  0.0000  1
  Ho  Ho1  4  0.1801  0.0842  0.5000  1
  Ho  Ho2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0689  0.3366  0.5000  1
]