data_ZnTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   108.71
_cell_angle_beta   108.71
_cell_angle_gamma   111.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeSe2
_chemical_formula_sum   'Zn1 Te1 Se2'
_cell_volume   94.27
_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  Te2  1  0.0  0.0  0.81  1.0
  Se  Se0  1  0.0  0.89  0.0  1.0
  Se  Se1  1  0.89  0.0  0.0  1.0

data_ZnTeSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   8.19
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   124.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTeSe2
_chemical_formula_sum   'Zn2 Te2 Se4'
_cell_volume   188.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.19  0.0  0.19  1.0
  Se  Se2  4  0.45  0.45  0.0  1.0

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