data_[Nd6Sc2Au4]
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 [Pmc2_1]
_cell_length_a [5.0951]
_cell_length_b [9.3077]
_cell_length_c [6.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Nd3ScAu2]
_chemical_formula_sum '[Nd6 Sc2 Au4]'
_cell_volume [327.7070]
_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  0.0675  0.4972  1
  Nd  Nd1  2  0.0000  0.3442  0.8370  1
  Nd  Nd2  2  0.5000  0.1727  0.1589  1
  Sc  Sc3  2  0.5000  0.4293  0.5049  1
  Au  Au4  2  0.0000  0.3468  0.2783  1
  Au  Au5  2  0.5000  0.1642  0.7237  1
]