data_[Nd8Ga8Ir4]
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 [C2/m]
_cell_length_a [11.1766]
_cell_length_b [4.2219]
_cell_length_c [10.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ga2Ir]
_chemical_formula_sum '[Nd8 Ga8 Ir4]'
_cell_volume [465.6362]
_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  0.0038  0.0000  0.3344  1.0
  Nd  Nd1  4  0.1902  0.0000  0.1216  1.0
  Ga  Ga2  4  0.0219  0.5000  0.8872  1.0
  Ga  Ga3  4  0.1646  0.5000  0.5537  1.0
  Ir  Ir4  4  0.2116  0.5000  0.3309  1.0
]