data_[Nd12Cd3Cu3Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3155]
_cell_length_b [5.3155]
_cell_length_c [25.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd4CdCuAg2]
_chemical_formula_sum '[Nd12 Cd3 Cu3 Ag6]'
_cell_volume [631.0813]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1304  1.0
  Nd  Nd1  6  0.0000  0.0000  0.3813  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  3  -0.0000  -0.0000  0.5000  1.0
  Ag  Ag4  6  0.0000  0.0000  0.2560  1.0
]