data_Ga3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Se4
_chemical_formula_sum   'Ga3 Se4'
_cell_volume   169.51
_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
  Ga  Ga0  1  0.63  0.82  0.3  1.0
  Ga  Ga1  1  0.26  0.0  0.3  1.0
  Ga  Ga2  1  0.37  0.82  0.3  1.0
  Se  Se3  1  0.0  0.0  0.51  1.0
  Se  Se4  1  0.0  0.0  0.09  1.0
  Se  Se5  1  0.0  0.76  0.0  1.0
  Se  Se6  1  0.26  0.88  0.0  1.0

data_Ga3Se4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Se4
_chemical_formula_sum   'Ga3 Se4'
_cell_volume   169.51
_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
  Ga  Ga0  1  0.3  0.26  0.0  1.0
  Ga  Ga1  1  0.3  0.37  0.82  1.0
  Ga  Ga2  1  0.3  0.63  0.82  1.0
  Se  Se3  1  0.0  0.0  0.76  1.0
  Se  Se4  1  0.0  0.26  0.88  1.0
  Se  Se5  1  0.09  0.0  0.0  1.0
  Se  Se6  1  0.51  0.0  0.0  1.0

Ga Ga Ga Se Se Se Se
Ga Ga Ga Se Se Se Se 0 2 o o o 0 3 + + o 1 4 o o o 1 3 o o o 1 6 o - o 1 2 o - o 2 6 o o o 3 4 o o o 4 5 o - o 5 6 o o o 