data_[Nd2Al8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4835]
_cell_length_b [6.7199]
_cell_length_c [5.1673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Al2Ag)2]
_chemical_formula_sum '[Nd2 Al8 Ag4]'
_cell_volume [276.7903]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1888  0.2017  0.7056  1
  Ag  Ag2  4  0.0599  0.5000  0.3061  1
]