data_[Ho8Cu2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8880]
_cell_length_b [6.8253]
_cell_length_c [6.8239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho4CuIr]
_chemical_formula_sum '[Ho8 Cu2 Ir2]'
_cell_volume [320.5867]
_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  0.1580  0.6603  0.1710  1
  Ho  Ho1  4  0.3326  0.1601  0.1556  1
  Cu  Cu2  2  0.5000  0.0000  0.5000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]