data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   7.27
_cell_length_c   7.66
_cell_angle_alpha   104.4
_cell_angle_beta   105.39
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSe2
_chemical_formula_sum   'Ce3 Se6'
_cell_volume   263.25
_cell_formula_units_Z   3
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  0.21  0.74  0.22  1.0
  Ce  Ce1  1  0.78  0.53  0.63  1.0
  Ce  Ce2  1  0.44  0.81  0.25  1.0
  Se  Se3  1  0.74  0.37  0.93  1.0
  Se  Se4  1  0.58  0.15  0.48  1.0
  Se  Se5  1  0.47  0.86  0.03  1.0
  Se  Se6  1  0.67  0.79  0.27  1.0
  Se  Se7  1  0.52  0.47  0.46  1.0
  Se  Se8  1  0.74  0.26  0.35  1.0

data_CeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   7.27
_cell_length_c   7.66
_cell_angle_alpha   104.4
_cell_angle_beta   105.39
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSe2
_chemical_formula_sum   'Ce3 Se6'
_cell_volume   263.25
_cell_formula_units_Z   3
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  0.21  0.74  0.22  1.0
  Ce  Ce1  1  0.44  0.81  0.25  1.0
  Ce  Ce2  1  0.78  0.53  0.63  1.0
  Se  Se3  1  0.47  0.86  0.03  1.0
  Se  Se4  1  0.52  0.47  0.46  1.0
  Se  Se5  1  0.58  0.15  0.48  1.0
  Se  Se6  1  0.67  0.79  0.27  1.0
  Se  Se7  1  0.74  0.26  0.35  1.0
  Se  Se8  1  0.74  0.37  0.93  1.0

Ce Ce Ce Se Se Se Se Se Se