data_Zn2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.8
_cell_angle_alpha   110.47
_cell_angle_beta   110.47
_cell_angle_gamma   47.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaSe
_chemical_formula_sum   'Zn2 Ga1 Se1'
_cell_volume   77.71
_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  Zn2  1  0.24  0.0  0.14  1.0
  Zn  Zn3  1  0.66  0.0  0.22  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.95  0.0  0.68  1.0

data_Zn2GaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.43
_cell_length_c   5.8
_cell_angle_alpha   110.47
_cell_angle_beta   90.0
_cell_angle_gamma   113.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaSe
_chemical_formula_sum   'Zn2 Ga1 Se1'
_cell_volume   77.71
_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  0.34  0.78  1.0
  Zn  Zn1  1  0.0  0.76  0.86  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.05  0.32  1.0

Zn Zn Ga Se