data_Al3P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3P5
_chemical_formula_sum   'Al3 P5'
_cell_volume   119.15
_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  0.09  0.07  0.25  1.0
  Al  Al2  1  0.09  0.93  0.25  1.0
  P  P3  1  0.09  0.0  0.0  1.0
  P  P4  1  0.55  0.86  0.0  1.0
  P  P5  1  0.55  0.14  0.0  1.0
  P  P6  1  0.71  0.0  0.25  1.0
  P  P7  1  0.48  0.0  0.25  1.0

data_Al3P5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   108.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3P5
_chemical_formula_sum   'Al3 P5'
_cell_volume   119.15
_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  0.25  0.09  0.07  1.0
  Al  Al2  1  0.25  0.09  0.93  1.0
  P  P3  1  -0.0  0.55  0.86  1.0
  P  P4  1  -0.0  0.55  0.14  1.0
  P  P5  1  0.0  0.09  0.0  1.0
  P  P6  1  0.25  0.48  0.0  1.0
  P  P7  1  0.25  0.71  0.0  1.0

Al Al Al P P P P P