data_[Ho4Cu2Ir2]
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/m]
_cell_length_a [5.5463]
_cell_length_b [4.3019]
_cell_length_c [7.5989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2CuIr]
_chemical_formula_sum '[Ho4 Cu2 Ir2]'
_cell_volume [170.0417]
_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  2  0.2148  0.2500  0.4359  1
  Ho  Ho1  2  0.2275  0.2500  0.9247  1
  Cu  Cu2  2  0.3423  0.7500  0.2111  1
  Ir  Ir3  2  0.3506  0.7500  0.7144  1
]