data_ZnTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   3.86
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   112.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeSe2
_chemical_formula_sum   'Zn1 Te1 Se2'
_cell_volume   97.73
_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  0.81  0.0  0.92  1.0
  Te  Te2  1  0.43  0.93  0.61  1.0
  Se  Se0  1  0.4  0.93  0.61  1.0
  Se  Se1  1  0.67  0.0  0.01  1.0

data_ZnTeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.66
_cell_length_c   5.87
_cell_angle_alpha   112.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeSe2
_chemical_formula_sum   'Zn1 Te1 Se2'
_cell_volume   97.73
_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  0.19  0.08  1.0
  Te  Te1  1  0.07  0.57  0.39  1.0
  Se  Se2  1  0.0  0.33  0.99  1.0
  Se  Se3  1  0.07  0.6  0.39  1.0

Zn Te Se Se