data_[Dy2Hf2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4615]
_cell_length_b [4.7422]
_cell_length_c [5.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [DyHfIr]
_chemical_formula_sum '[Dy2 Hf2 Ir2]'
_cell_volume [144.0111]
_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
[
  Dy  Dy0  2  0.2023  0.2500  0.4112  1
  Hf  Hf1  2  0.3398  0.7500  0.0290  1
  Ir  Ir2  2  0.1254  0.2500  0.8824  1
]