data_[Ho12Zn4Ir12]
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 [Cmcm]
_cell_length_a [4.1563]
_cell_length_b [10.1391]
_cell_length_c [13.6648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3ZnIr3]
_chemical_formula_sum '[Ho12 Zn4 Ir12]'
_cell_volume [575.8444]
_cell_formula_units_Z [4]
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  8  0.0000  0.1980  0.6039  1
  Ho  Ho1  4  0.0000  0.4808  0.7500  1
  Zn  Zn2  4  0.0000  0.5000  0.0000  1
  Ir  Ir3  8  0.0000  0.0920  0.0911  1
  Ir  Ir4  4  0.0000  0.2392  0.2500  1
]