data_[Nd6Ag2Au6]
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 [Imm2]
_cell_length_a [3.8466]
_cell_length_b [4.5924]
_cell_length_c [20.3965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Nd3AgAu3]
_chemical_formula_sum '[Nd6 Ag2 Au6]'
_cell_volume [360.3063]
_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  0.0000  0.9932  1
  Nd  Nd1  2  0.0000  0.5000  0.1886  1
  Nd  Nd2  2  0.0000  0.5000  0.8155  1
  Ag  Ag3  2  0.0000  0.0000  0.5678  1
  Au  Au4  2  0.0000  0.0000  0.4347  1
  Au  Au5  2  0.0000  0.5000  0.3471  1
  Au  Au6  2  0.0000  0.5000  0.6530  1
]