data_[Nd4Ga4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.7204]
_cell_length_b [7.7351]
_cell_length_c [5.7312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NdGaIr]
_chemical_formula_sum '[Nd4 Ga4 Ir4]'
_cell_volume [253.5943]
_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  0.3465  0.5948  0.2500  1.0
  Ga  Ga1  4  0.1042  0.2500  0.0000  1.0
  Ir  Ir2  4  0.1598  0.5267  0.7500  1.0
]