data_[Nd4Ag1Sn8]
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 [Pmm2]
_cell_length_a [4.4436]
_cell_length_b [4.5182]
_cell_length_c [17.8893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4AgSn8]
_chemical_formula_sum '[Nd4 Ag1 Sn8]'
_cell_volume [359.1687]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0868  1
  Nd  Nd1  1  0.0000  0.5000  0.6110  1
  Nd  Nd2  1  0.5000  0.0000  0.8935  1
  Nd  Nd3  1  0.5000  0.5000  0.4002  1
  Ag  Ag4  1  0.0000  0.0000  0.3246  1
  Sn  Sn5  1  0.0000  0.0000  0.4729  1
  Sn  Sn6  1  0.0000  0.0000  0.7505  1
  Sn  Sn7  1  0.0000  0.5000  0.2284  1
  Sn  Sn8  1  0.0000  0.5000  0.9297  1
  Sn  Sn9  1  0.5000  0.0000  0.2265  1
  Sn  Sn10  1  0.5000  0.0000  0.5813  1
  Sn  Sn11  1  0.5000  0.5000  0.0423  1
  Sn  Sn12  1  0.5000  0.5000  0.7554  1
]