data_GaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   9.54
_cell_angle_alpha   90.23
_cell_angle_beta   90.23
_cell_angle_gamma   52.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSe2
_chemical_formula_sum   'Ga2 Se4'
_cell_volume   143.3
_cell_formula_units_Z   2
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
  Ga  Ga0  1  0.96  0.0  0.02  1.0
  Ga  Ga1  1  0.76  0.0  0.52  1.0
  Se  Se2  1  0.36  0.0  0.38  1.0
  Se  Se3  1  0.36  0.0  0.16  1.0
  Se  Se4  1  0.77  0.0  0.69  1.0
  Se  Se5  1  0.95  0.0  0.85  1.0

data_GaSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   4.34
_cell_length_c   9.54
_cell_angle_alpha   90.23
_cell_angle_beta   90.0
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaSe2
_chemical_formula_sum   'Ga2 Se4'
_cell_volume   143.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ga  Ga0  2  0.0  0.1  0.25  1.0
  Se  Se1  2  0.0  0.09  0.08  1.0
  Se  Se2  2  0.0  0.5  0.39  1.0

Ga Ga Se Se Se Se