data_[Nd18Ag12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0275]
_cell_length_b [5.1901]
_cell_length_c [10.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Ag2]
_chemical_formula_sum '[Nd18 Ag12]'
_cell_volume [859.4720]
_cell_formula_units_Z [6]
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  0.0109  0.5000  0.3293  1.0
  Nd  Nd1  4  0.1088  0.0000  0.5607  1.0
  Nd  Nd2  4  0.1516  0.0000  0.9358  1.0
  Nd  Nd3  4  0.2467  0.5000  0.7314  1.0
  Nd  Nd4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.0501  0.0000  0.1874  1.0
  Ag  Ag6  4  0.1677  0.5000  0.1475  1.0
  Ag  Ag7  4  0.1979  0.5000  0.4427  1.0
]