data_AlGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   146.29
_cell_angle_beta   131.97
_cell_angle_gamma   59.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaSi
_chemical_formula_sum   'Al1 Ga1 Si1'
_cell_volume   49.26
_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  0.0  0.0  0.55  1.0
  Ga  Ga1  1  0.0  0.0  0.71  1.0
  Si  Si2  1  0.0  0.0  0.86  1.0

data_AlGaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.02
_cell_length_c   4.94
_cell_angle_alpha   114.02
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaSi
_chemical_formula_sum   'Al1 Ga1 Si1'
_cell_volume   49.26
_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  0.45  0.45  0.45  1.0
  Ga  Ga1  1  0.29  0.29  0.29  1.0
  Si  Si2  1  0.14  0.14  0.14  1.0

Al Ga Si
Al Ga Si 0 1 o o o 1 2 o o o 