data_[Nd4Sc2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3136]
_cell_length_b [16.4396]
_cell_length_c [5.2503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2ScAu6]
_chemical_formula_sum '[Nd4 Sc2 Au12]'
_cell_volume [396.9739]
_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  0.1658  0.5000  1
  Sc  Sc1  2  0.0000  0.5000  0.0000  1
  Au  Au2  8  0.1608  0.3444  0.8341  1
  Au  Au3  4  0.1570  0.0000  0.3275  1
]