data_Ga3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   149.64
_cell_angle_beta   63.02
_cell_angle_gamma   126.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Se
_chemical_formula_sum   'Ga3 Se1'
_cell_volume   81.41
_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  0.5  0.65  1.0
  Ga  Ga1  1  0.54  0.5  1.0  1.0
  Ga  Ga2  1  0.0  0.0  0.42  1.0
  Se  Se3  1  0.54  0.0  0.77  1.0

data_Ga3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.3
_cell_length_c   5.86
_cell_angle_alpha   116.89
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Se
_chemical_formula_sum   'Ga3 Se1'
_cell_volume   81.41
_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  0.42  0.42  0.42  1.0
  Ga  Ga1  1  0.65  0.15  0.15  1.0
  Ga  Ga2  1  1.0  0.5  0.03  1.0
  Se  Se3  1  0.77  0.77  0.3  1.0

Ga Ga Ga Se