data_AlGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.22
_cell_angle_alpha   106.26
_cell_angle_beta   106.26
_cell_angle_gamma   59.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaP2
_chemical_formula_sum   'Al1 Ga1 P2'
_cell_volume   66.74
_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  0.0  1.0
  Ga  Ga1  1  0.16  0.0  0.95  1.0
  P  P2  1  0.21  0.0  0.43  1.0
  P  P3  1  0.11  0.0  0.47  1.0

data_AlGaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.63
_cell_length_c   6.22
_cell_angle_alpha   106.26
_cell_angle_beta   90.0
_cell_angle_gamma   119.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaP2
_chemical_formula_sum   'Al1 Ga1 P2'
_cell_volume   66.74
_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  0.0  1.0
  Ga  Ga1  1  0.0  0.84  0.05  1.0
  P  P2  1  0.0  0.79  0.57  1.0
  P  P3  1  0.0  0.89  0.53  1.0

Al Ga P P