data_Zn2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.27
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   91.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnTe
_chemical_formula_sum   'Zn2 Sn1 Te1'
_cell_volume   102.56
_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  Zn2  1  0.33  0.0  0.74  1.0
  Zn  Zn3  1  0.03  0.13  1.0  1.0
  Sn  Sn0  1  0.84  0.0  0.25  1.0
  Te  Te1  1  0.37  0.13  0.25  1.0

data_Zn2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.27
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   91.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnTe
_chemical_formula_sum   'Zn2 Sn1 Te1'
_cell_volume   102.56
_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  0.03  0.13  1.0  1.0
  Zn  Zn1  1  0.33  0.0  0.74  1.0
  Sn  Sn2  1  0.84  0.0  0.25  1.0
  Te  Te3  1  0.37  0.13  0.25  1.0

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