data_[Nd10Ga10Ir4]
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 [15.3238]
_cell_length_b [4.4550]
_cell_length_c [11.1265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Ga5Ir2]
_chemical_formula_sum '[Nd10 Ga10 Ir4]'
_cell_volume [578.9895]
_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  0.1171  0.5000  0.9237  1
  Nd  Nd1  4  0.2007  0.5000  0.3335  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Ga  Ga3  4  0.0513  0.0000  0.3322  1
  Ga  Ga4  4  0.2420  0.0000  0.1879  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1548  0.0000  0.7630  1
]