data_[Nd4Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8207]
_cell_length_b [4.6884]
_cell_length_c [7.2197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdAgAu]
_chemical_formula_sum '[Nd4 Ag4 Au4]'
_cell_volume [282.7448]
_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  0.0392  0.5000  0.2907  1.0
  Ag  Ag1  4  0.1617  0.0000  0.1102  1.0
  Au  Au2  4  0.1646  0.0000  0.6908  1.0
]