data_[Nd16Ga4Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.3259]
_cell_length_b [9.3259]
_cell_length_c [9.1844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Nd4GaAg2]
_chemical_formula_sum '[Nd16 Ga4 Ag8]'
_cell_volume [798.8005]
_cell_formula_units_Z [4]
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  16  0.0694  0.1815  0.2982  1
  Ga  Ga1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  8  0.1209  0.2500  0.6250  1
]