data_ZnSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   139.7
_cell_angle_beta   139.7
_cell_angle_gamma   58.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Te
_chemical_formula_sum   'Zn1 Sn2 Te1'
_cell_volume   108.23
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.2  0.0  0.79  1.0
  Sn  Sn1  1  0.0  0.0  0.58  1.0
  Te  Te2  1  0.0  0.2  0.79  1.0

data_ZnSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   6.39
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Te
_chemical_formula_sum   'Zn1 Sn2 Te1'
_cell_volume   108.23
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.21  0.0  0.41  1.0
  Sn  Sn2  1  0.42  0.0  0.42  1.0
  Te  Te3  1  0.41  0.2  0.41  1.0

Zn Sn Sn Te
Zn Sn Sn Te 0 3 o o - 0 2 o o - 0 1 o o - 1 2 o o o 2 3 o o o 