data_[Nd16Co2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2271]
_cell_length_b [13.1864]
_cell_length_c [6.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nd8CoAu2]
_chemical_formula_sum '[Nd16 Co2 Au4]'
_cell_volume [685.5586]
_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  0.2357  0.1372  0.6951  1
  Nd  Nd1  4  0.2644  0.3710  0.3804  1
  Nd  Nd2  4  0.4960  0.3587  0.0423  1
  Nd  Nd3  2  0.1263  0.5000  0.7968  1
  Nd  Nd4  2  0.3584  0.0000  0.2273  1
  Co  Co5  2  0.0181  0.0000  0.7546  1
  Au  Au6  4  0.4855  0.1963  0.4931  1
]