data_Zn2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.47
_cell_angle_alpha   105.72
_cell_angle_beta   105.72
_cell_angle_gamma   103.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnTe
_chemical_formula_sum   'Zn2 Sn1 Te1'
_cell_volume   97.64
_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
  Zn  Zn2  1  0.57  0.96  0.01  1.0
  Zn  Zn3  1  0.57  0.04  0.01  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.1  0.0  0.0  1.0

data_Zn2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   103.35
_cell_angle_beta   105.72
_cell_angle_gamma   105.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnTe
_chemical_formula_sum   'Zn2 Sn1 Te1'
_cell_volume   97.64
_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
  Zn  Zn0  1  0.01  0.57  0.04  1.0
  Zn  Zn1  1  0.01  0.57  0.96  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.1  0.0  1.0

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