data_[Nd2Ga2Au22]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5125]
_cell_length_b [13.5176]
_cell_length_c [7.1574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdGaAu11]
_chemical_formula_sum '[Nd2 Ga2 Au22]'
_cell_volume [506.8364]
_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  2  0.0000  0.0000  0.0000  1
  Ga  Ga1  2  0.0000  0.5000  0.5000  1
  Au  Au2  8  0.0763  0.3954  0.2176  1
  Au  Au3  8  0.1452  0.1750  0.3485  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]