data_ZnGaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   5.35
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   98.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSe2
_chemical_formula_sum   'Zn1 Ga1 Se2'
_cell_volume   83.28
_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  0.41  0.0  0.21  1.0
  Ga  Ga0  1  0.03  0.67  0.79  1.0
  Se  Se1  1  0.27  0.0  0.51  1.0
  Se  Se2  1  0.08  0.67  0.54  1.0

data_ZnGaSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.07
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSe2
_chemical_formula_sum   'Zn1 Ga1 Se2'
_cell_volume   83.28
_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  0.59  0.79  0.0  1.0
  Ga  Ga1  1  0.97  0.21  0.33  1.0
  Se  Se2  1  0.73  0.49  0.0  1.0
  Se  Se3  1  0.92  0.46  0.33  1.0

Zn Ga Se Se