data_Ga2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   146.98
_cell_angle_beta   61.07
_cell_angle_gamma   130.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Se3
_chemical_formula_sum   'Ga2 Se3'
_cell_volume   133.67
_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  0.0  0.91  0.94  1.0
  Ga  Ga1  1  0.95  0.01  0.05  1.0
  Se  Se2  1  0.95  0.93  0.39  1.0
  Se  Se3  1  0.95  0.07  0.39  1.0
  Se  Se4  1  0.0  0.0  0.35  1.0

data_Ga2Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.79
_cell_length_c   6.87
_cell_angle_alpha   114.91
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Se3
_chemical_formula_sum   'Ga2 Se3'
_cell_volume   133.67
_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  0.06  0.96  0.01  1.0
  Ga  Ga1  1  0.91  0.96  0.96  1.0
  Se  Se2  1  -0.0  0.65  0.65  1.0
  Se  Se3  1  0.12  0.68  0.73  1.0
  Se  Se4  1  0.97  0.53  0.58  1.0

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