data_AlGaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.87
_cell_length_c   3.36
_cell_angle_alpha   75.19
_cell_angle_beta   71.87
_cell_angle_gamma   32.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaSe
_chemical_formula_sum   'Al1 Ga1 Se1'
_cell_volume   60.76
_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
  Al  Al0  1  0.24  0.5  0.22  1.0
  Ga  Ga1  1  0.24  0.5  0.8  1.0
  Se  Se2  1  0.24  0.5  0.83  1.0

data_AlGaSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   10.84
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   131.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlGaSe
_chemical_formula_sum   'Al2 Ga2 Se2'
_cell_volume   121.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.24  0.0  0.46  1.0
  Ga  Ga1  2  0.24  0.0  0.04  1.0
  Se  Se2  2  0.24  0.0  0.07  1.0

Al Ga Se