data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   7.08
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSe2
_chemical_formula_sum   'Ce4 Se8'
_cell_volume   340.46
_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
  Ce  Ce0  1  0.93  0.17  0.82  1.0
  Ce  Ce1  1  0.71  0.71  0.56  1.0
  Ce  Ce2  1  0.48  0.91  0.1  1.0
  Ce  Ce3  1  0.7  0.37  0.36  1.0
  Se  Se4  1  0.13  0.18  0.75  1.0
  Se  Se5  1  0.51  0.72  0.63  1.0
  Se  Se6  1  0.28  0.9  0.17  1.0
  Se  Se7  1  0.9  0.36  0.29  1.0
  Se  Se8  1  0.51  0.26  0.82  1.0
  Se  Se9  1  0.13  0.72  0.56  1.0
  Se  Se10  1  0.9  0.82  0.1  1.0
  Se  Se11  1  0.28  0.35  0.36  1.0

data_CeSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.95
_cell_length_b   7.08
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeSe2
_chemical_formula_sum   'Ce4 Se8'
_cell_volume   340.46
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.28  0.87  0.64  1.0
  Ce  Ce1  2  0.49  0.33  0.9  1.0
  Se  Se2  2  0.08  0.32  0.9  1.0
  Se  Se3  2  0.08  0.86  0.71  1.0
  Se  Se4  2  0.3  0.22  0.36  1.0
  Se  Se5  2  0.31  0.68  0.17  1.0

Ce Ce Ce Ce Se Se Se Se Se Se Se Se