data_[Nd12Ga4Au4]
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 [16.1483]
_cell_length_b [4.0612]
_cell_length_c [8.6496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GaAu]
_chemical_formula_sum '[Nd12 Ga4 Au4]'
_cell_volume [566.2036]
_cell_formula_units_Z [4]
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  0.0520  0.0000  0.1985  1.0
  Nd  Nd1  4  0.0966  0.5000  0.5766  1.0
  Nd  Nd2  4  0.2348  0.0000  0.8194  1.0
  Ga  Ga3  4  0.2116  0.0000  0.4283  1.0
  Au  Au4  4  0.0961  0.5000  0.9432  1.0
]