data_CdSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.29
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Te
_chemical_formula_sum   'Cd1 Sn2 Te1'
_cell_volume   114.64
_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  0.0  1.0
  Sn  Sn1  1  0.55  0.14  0.85  1.0
  Sn  Sn2  1  0.55  0.14  0.48  1.0
  Te  Te3  1  0.55  0.0  0.17  1.0

data_CdSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.29
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Te
_chemical_formula_sum   'Cd1 Sn2 Te1'
_cell_volume   114.64
_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  0.0  1.0
  Sn  Sn1  1  0.55  0.14  0.85  1.0
  Sn  Sn2  1  0.55  0.14  0.48  1.0
  Te  Te3  1  0.55  0.0  0.17  1.0

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