data_[Ho4Sc1Ir5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2945]
_cell_length_b [3.2945]
_cell_length_c [17.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho4ScIr5]
_chemical_formula_sum '[Ho4 Sc1 Ir5]'
_cell_volume [191.8294]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1942  1
  Ho  Ho1  2  0.0000  0.0000  0.3980  1
  Sc  Sc2  1  0.0000  0.0000  0.0000  1
  Ir  Ir3  2  0.5000  0.5000  0.0902  1
  Ir  Ir4  2  0.5000  0.5000  0.2956  1
  Ir  Ir5  1  0.5000  0.5000  0.5000  1
]