data_ZnTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   4.01
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Se
_chemical_formula_sum   'Zn1 Te2 Se1'
_cell_volume   110.22
_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
  Te  Te1  1  0.97  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.5  1.0
  Se  Se0  1  0.97  0.0  0.5  1.0

data_ZnTe2Se
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.01
_cell_length_b   6.99
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   ZnTe2Se
_chemical_formula_sum   'Zn1 Te2 Se1'
_cell_volume   110.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Te  Te1  1  0.0  0.0  0.97  1.0
  Te  Te2  1  0.0  0.5  0.0  1.0
  Se  Se3  1  0.0  0.5  0.97  1.0

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