data_[Nd16Cu4Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3187]
_cell_length_b [5.2302]
_cell_length_c [7.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Cu2Ag]
_chemical_formula_sum '[Nd16 Cu4 Ag2]'
_cell_volume [640.9072]
_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  4  0.0317  0.0000  0.7808  1.0
  Nd  Nd1  4  0.0930  0.5000  0.4712  1.0
  Nd  Nd2  4  0.1745  0.5000  0.9956  1.0
  Nd  Nd3  4  0.1973  0.0000  0.3391  1.0
  Cu  Cu4  4  0.1781  0.0000  0.7284  1.0
  Ag  Ag5  2  0.0000  0.5000  0.0000  1.0
]