data_[Nd6Ga4Ir8]
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 [10.4825]
_cell_length_b [4.2362]
_cell_length_c [8.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(GaIr2)2]
_chemical_formula_sum '[Nd6 Ga4 Ir8]'
_cell_volume [384.0490]
_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
[
  Nd  Nd0  4  0.1215  0.5000  0.3783  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1816  0.5000  0.7793  1.0
  Ir  Ir3  4  0.0899  0.0000  0.6301  1.0
  Ir  Ir4  4  0.2229  0.5000  0.0868  1.0
]