data_[Nd6Ga10Au12]
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 [Pmmn]
_cell_length_a [4.4176]
_cell_length_b [13.5633]
_cell_length_c [9.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd3Ga5Au6]
_chemical_formula_sum '[Nd6 Ga10 Au12]'
_cell_volume [580.2067]
_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  0.3220  0.7584  1
  Nd  Nd1  2  0.0000  0.0000  0.7517  1
  Ga  Ga2  4  0.0000  0.1126  0.4535  1
  Ga  Ga3  4  0.0000  0.3327  0.1380  1
  Ga  Ga4  2  0.0000  0.0000  0.2030  1
  Au  Au5  4  0.0000  0.1523  0.0029  1
  Au  Au6  4  0.0000  0.3081  0.4040  1
  Au  Au7  2  0.0000  0.5000  0.5151  1
  Au  Au8  2  0.0000  0.5000  0.9829  1
]