data_CdSnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   145.88
_cell_angle_beta   145.88
_cell_angle_gamma   49.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnSe
_chemical_formula_sum   'Cd1 Sn1 Se1'
_cell_volume   74.19
_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  0.0  0.12  1.0
  Sn  Sn2  1  0.0  0.0  0.56  1.0
  Se  Se1  1  0.0  0.0  0.58  1.0

data_CdSnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   114.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSnSe
_chemical_formula_sum   'Cd2 Sn2 Se2'
_cell_volume   148.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.0  0.12  1.0
  Sn  Sn1  2  0.06  0.5  0.56  1.0
  Se  Se2  2  0.08  0.5  0.58  1.0

Cd Sn Se