data_[Nd8Cu4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7661]
_cell_length_b [4.2198]
_cell_length_c [11.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CuAu2]
_chemical_formula_sum '[Nd8 Cu4 Au8]'
_cell_volume [467.9433]
_cell_formula_units_Z [4]
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  0.0141  0.0000  0.3431  1.0
  Nd  Nd1  4  0.1878  0.0000  0.1157  1.0
  Cu  Cu2  4  0.2102  0.5000  0.3270  1.0
  Au  Au3  4  0.0295  0.5000  0.8832  1.0
  Au  Au4  4  0.1505  0.5000  0.5647  1.0
]