data_[Nd20Sb8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.3846]
_cell_length_b [8.1289]
_cell_length_c [8.2261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(SbSe)2]
_chemical_formula_sum '[Nd20 Sb8 Se8]'
_cell_volume [1028.7574]
_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  0.1420  0.1624  0.3459  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  8  0.0000  0.1410  0.6418  1
  Se  Se3  8  0.1948  0.0000  0.0000  1
]