data_AlGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   113.91
_cell_angle_beta   113.91
_cell_angle_gamma   100.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaP2
_chemical_formula_sum   'Al1 Ga1 P2'
_cell_volume   63.25
_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  0.0  0.78  1.0
  P  P2  1  0.0  0.38  0.39  1.0
  P  P3  1  0.38  0.0  0.39  1.0

data_AlGaP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   6.74
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   129.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlGaP2
_chemical_formula_sum   'Al2 Ga2 P4'
_cell_volume   126.49
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.22  0.0  0.22  1.0
  P  P2  4  0.3  0.31  0.61  1.0

Al Ga P P