data_[Nd6Y6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4051]
_cell_length_b [4.9915]
_cell_length_c [13.8010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdYAu]
_chemical_formula_sum '[Nd6 Y6 Au6]'
_cell_volume [509.4136]
_cell_formula_units_Z [6]
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  0.0056  0.2500  0.2842  1
  Nd  Nd1  2  0.3892  0.2500  0.0793  1
  Nd  Nd2  2  0.4813  0.2500  0.3764  1
  Y  Y3  2  0.0431  0.7500  0.0874  1
  Y  Y4  2  0.1385  0.7500  0.4549  1
  Y  Y5  2  0.3385  0.2500  0.7808  1
  Au  Au6  2  0.2116  0.7500  0.9023  1
  Au  Au7  2  0.2565  0.2500  0.5643  1
  Au  Au8  2  0.2809  0.7500  0.2587  1
]