data_[Ho6Ge42Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.9162]
_cell_length_b [7.9162]
_cell_length_c [20.9491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [HoGe7Ir3]
_chemical_formula_sum '[Ho6 Ge42 Ir18]'
_cell_volume [1136.9172]
_cell_formula_units_Z [6]
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  6  0.0000  -0.0000  0.0000  1
  Ge  Ge1  36  0.0131  0.2091  0.6362  1
  Ge  Ge2  6  0.0000  0.0000  0.2500  1
  Ir  Ir3  18  0.0000  0.3196  0.7500  1
]