data_[Nd12Ag4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6229]
_cell_length_b [4.7142]
_cell_length_c [11.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3AgSn2]
_chemical_formula_sum '[Nd12 Ag4 Sn8]'
_cell_volume [705.4328]
_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  0.0454  0.2500  0.3685  1
  Nd  Nd1  4  0.1379  0.7500  0.9293  1
  Nd  Nd2  4  0.2193  0.2500  0.6933  1
  Ag  Ag3  4  0.1224  0.2500  0.1127  1
  Sn  Sn4  4  0.0072  0.7500  0.1787  1
  Sn  Sn5  4  0.1809  0.7500  0.4882  1
]