data_Al2GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   144.98
_cell_angle_beta   137.51
_cell_angle_gamma   56.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GaP
_chemical_formula_sum   'Al2 Ga1 P1'
_cell_volume   67.97
_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  0.03  0.53  1.0
  Al  Al1  1  0.0  0.0  0.35  1.0
  Ga  Ga2  1  0.0  0.03  0.36  1.0
  P  P3  1  0.0  0.0  0.61  1.0

data_Al2GaP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.07
_cell_length_c   5.61
_cell_angle_alpha   111.24
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GaP
_chemical_formula_sum   'Al2 Ga1 P1'
_cell_volume   67.97
_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  0.47  0.5  0.5  1.0
  Al  Al1  1  0.65  0.65  0.65  1.0
  Ga  Ga2  1  0.64  0.67  0.67  1.0
  P  P3  1  0.39  0.39  0.39  1.0

Al Al Ga P
Al Al Ga P 0 3 o o o 1 2 o o o 