data_Al3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.52
_cell_angle_alpha   109.69
_cell_angle_beta   109.69
_cell_angle_gamma   40.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3P
_chemical_formula_sum   'Al3 P1'
_cell_volume   64.57
_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
  Al  Al1  1  0.64  0.0  0.14  1.0
  Al  Al2  1  0.89  0.0  0.08  1.0
  P  P3  1  0.77  0.0  0.11  1.0

data_Al3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.52
_cell_length_c   4.87
_cell_angle_alpha   109.69
_cell_angle_beta   110.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3P
_chemical_formula_sum   'Al3 P1'
_cell_volume   64.57
_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
  Al  Al1  1  0.0  0.08  0.89  1.0
  Al  Al2  1  0.0  0.14  0.64  1.0
  P  P3  1  0.0  0.11  0.77  1.0

Al Al Al P
Al Al Al P 0 2 - o o 1 3 o o o 2 3 o o o 