data_Ga2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.36
_cell_angle_alpha   94.43
_cell_angle_beta   94.43
_cell_angle_gamma   29.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsSe
_chemical_formula_sum   'Ga2 As1 Se1'
_cell_volume   81.04
_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  Ga1  1  0.67  0.0  1.0  1.0
  Ga  Ga2  1  0.72  0.0  0.35  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.19  0.0  0.67  1.0

data_Ga2AsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.36
_cell_length_c   5.59
_cell_angle_alpha   94.43
_cell_angle_beta   104.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsSe
_chemical_formula_sum   'Ga2 As1 Se1'
_cell_volume   81.04
_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  0.35  0.72  1.0
  Ga  Ga1  1  0.0  1.0  0.67  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.67  0.19  1.0

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