data_ZnSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   4.3
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSbSe2
_chemical_formula_sum   'Zn1 Sb1 Se2'
_cell_volume   98.47
_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  0.16  0.0  0.96  1.0
  Sb  Sb0  1  0.16  0.15  0.97  1.0
  Se  Se1  1  0.82  0.0  0.46  1.0
  Se  Se2  1  0.88  0.15  0.31  1.0

data_ZnSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.3
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSbSe2
_chemical_formula_sum   'Zn1 Sb1 Se2'
_cell_volume   98.47
_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  0.16  0.0  0.96  1.0
  Sb  Sb1  1  0.16  0.15  0.97  1.0
  Se  Se2  1  0.82  0.0  0.46  1.0
  Se  Se3  1  0.88  0.15  0.31  1.0

Zn Sb Se Se
Zn Sb Se Se 0 1 o o o 2 3 o o o 