data_[Dy12Er4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.7213]
_cell_length_b [13.5432]
_cell_length_c [7.0637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Dy3ErIr2]
_chemical_formula_sum '[Dy12 Er4 Ir8]'
_cell_volume [642.9890]
_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
[
  Dy  Dy0  8  0.0000  0.2337  0.2500  1.0
  Dy  Dy1  4  0.0000  0.5000  0.2500  1.0
  Er  Er2  4  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  8  0.2139  0.6377  0.0000  1.0
]