data_[Nd8Er4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4358]
_cell_length_b [4.1541]
_cell_length_c [11.1527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2ErIr2]
_chemical_formula_sum '[Nd8 Er4 Ir8]'
_cell_volume [497.4001]
_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
[
  Nd  Nd0  4  0.0376  0.5000  0.6955  1.0
  Nd  Nd1  4  0.1705  0.5000  0.0901  1.0
  Er  Er2  4  0.2051  0.0000  0.3673  1.0
  Ir  Ir3  4  0.0228  0.0000  0.8890  1.0
  Ir  Ir4  4  0.1290  0.0000  0.5724  1.0
]