data_[Ce2Nd10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.9385]
_cell_length_b [8.9385]
_cell_length_c [8.9850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CeNd5Se8]
_chemical_formula_sum '[Ce2 Nd10 Se16]'
_cell_volume [717.8725]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.2500  1
  Nd  Nd1  8  0.1172  0.7494  0.8774  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.0743  0.8233  0.2008  1
  Se  Se4  8  0.0753  0.6767  0.5516  1
]