data_[Ho6Zn48Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9465]
_cell_length_b [8.9465]
_cell_length_c [13.1237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho2Zn16Ir]
_chemical_formula_sum '[Ho6 Zn48 Ir3]'
_cell_volume [909.6783]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3389  1
  Ho  Ho1  3  0.0000  0.0000  0.6741  1
  Zn  Zn2  18  0.0439  0.3768  0.6648  1
  Zn  Zn3  9  0.0035  0.5018  0.1497  1
  Zn  Zn4  9  0.0050  0.5025  0.4989  1
  Zn  Zn5  9  0.1733  0.3466  0.1837  1
  Zn  Zn6  3  0.0000  0.0000  0.1022  1
  Ir  Ir7  3  0.0000  0.0000  0.8993  1
]