data_[Nd12Si4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1812]
_cell_length_b [4.4344]
_cell_length_c [9.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3SiAg]
_chemical_formula_sum '[Nd12 Si4 Ag4]'
_cell_volume [552.2701]
_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  4  0.0534  0.0000  0.3347  1.0
  Nd  Nd1  4  0.0873  0.5000  0.8852  1.0
  Nd  Nd2  4  0.2372  0.0000  0.6702  1.0
  Si  Si3  4  0.0911  0.5000  0.5583  1.0
  Ag  Ag4  4  0.1835  0.0000  0.0727  1.0
]