data_[Nd16Ga2Au4]
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 [18.7591]
_cell_length_b [5.2429]
_cell_length_c [7.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8GaAu2]
_chemical_formula_sum '[Nd16 Ga2 Au4]'
_cell_volume [664.7933]
_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  0.0223  0.0000  0.7774  1.0
  Nd  Nd1  4  0.0907  0.5000  0.4664  1.0
  Nd  Nd2  4  0.1699  0.5000  0.9906  1.0
  Nd  Nd3  4  0.1978  0.0000  0.3363  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1751  0.0000  0.7334  1.0
]