data_CdSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   4.25
_cell_angle_alpha   107.7
_cell_angle_beta   107.7
_cell_angle_gamma   37.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnSe2
_chemical_formula_sum   'Cd1 Sn1 Se2'
_cell_volume   103.65
_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  0.17  0.0  0.25  1.0
  Sn  Sn3  1  0.6  0.0  0.73  1.0
  Se  Se1  1  0.81  0.0  0.94  1.0
  Se  Se2  1  0.95  0.0  0.15  1.0

data_CdSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.25
_cell_length_c   6.53
_cell_angle_alpha   107.7
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnSe2
_chemical_formula_sum   'Cd1 Sn1 Se2'
_cell_volume   103.65
_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  0.0  0.25  0.17  1.0
  Sn  Sn1  1  0.0  0.73  0.6  1.0
  Se  Se2  1  0.0  0.15  0.95  1.0
  Se  Se3  1  0.0  0.94  0.81  1.0

Cd Sn Se Se