data_[Nd3Cd2Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1743]
_cell_length_b [5.1743]
_cell_length_c [9.4256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd3(CdAg2)2]
_chemical_formula_sum '[Nd3 Cd2 Ag4]'
_cell_volume [218.5433]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.4037  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.3333  0.6667  0.7691  1.0
  Ag  Ag3  2  0.0000  0.0000  0.3426  1.0
  Ag  Ag4  2  0.3333  0.6667  0.0757  1.0
]