data_[Nd6Ga10Ir12]
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 [Pmmn]
_cell_length_a [4.2521]
_cell_length_b [12.7594]
_cell_length_c [9.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd3Ga5Ir6]
_chemical_formula_sum '[Nd6 Ga10 Ir12]'
_cell_volume [532.7134]
_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  0.0000  0.3278  0.7520  1
  Nd  Nd1  2  0.0000  0.0000  0.7523  1
  Ga  Ga2  4  0.0000  0.1227  0.4769  1
  Ga  Ga3  4  0.0000  0.3315  0.1432  1
  Ga  Ga4  2  0.0000  0.0000  0.1257  1
  Ir  Ir5  4  0.0000  0.1678  0.9954  1
  Ir  Ir6  4  0.0000  0.3102  0.3969  1
  Ir  Ir7  2  0.0000  0.5000  0.0092  1
  Ir  Ir8  2  0.0000  0.5000  0.5189  1
]