data_CdBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   5.97
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiSe2
_chemical_formula_sum   'Cd1 Bi1 Se2'
_cell_volume   106.39
_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
  Cd  Cd1  1  0.0  0.98  0.58  1.0
  Bi  Bi0  1  0.14  0.0  0.6  1.0
  Se  Se2  1  0.0  0.0  0.68  1.0
  Se  Se3  1  0.14  0.98  0.55  1.0

data_CdBiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.28
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiSe2
_chemical_formula_sum   'Cd1 Bi1 Se2'
_cell_volume   106.39
_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
  Cd  Cd0  1  0.58  0.0  0.98  1.0
  Bi  Bi1  1  0.6  0.14  0.0  1.0
  Se  Se2  1  0.55  0.14  0.98  1.0
  Se  Se3  1  0.68  0.0  0.0  1.0

Cd Bi Se Se