data_Cd2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.63
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnSe
_chemical_formula_sum   'Cd2 Sn1 Se1'
_cell_volume   101.4
_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  0.1  0.0  0.16  1.0
  Cd  Cd1  1  0.08  0.31  0.83  1.0
  Sn  Sn3  1  0.51  0.31  0.06  1.0
  Se  Se2  1  0.24  0.0  0.48  1.0

data_Cd2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.63
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnSe
_chemical_formula_sum   'Cd2 Sn1 Se1'
_cell_volume   101.4
_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  0.08  0.31  0.83  1.0
  Cd  Cd1  1  0.1  0.0  0.16  1.0
  Sn  Sn2  1  0.51  0.31  0.06  1.0
  Se  Se3  1  0.24  0.0  0.48  1.0

Cd Cd Sn Se
Cd Cd Sn Se 0 2 - o o 0 2 o o o 0 3 o o o 1 2 o o + 