data_Al9FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al9FeP2
_chemical_formula_sum   'Al9 Fe1 P2'
_cell_volume   184.12
_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  0.8  0.81  0.0  1.0
  Al  Al1  1  0.2  0.81  0.0  1.0
  Al  Al2  1  0.4  0.0  0.0  1.0
  Al  Al3  1  0.18  0.26  0.37  1.0
  Al  Al4  1  0.63  0.26  0.37  1.0
  Al  Al5  1  0.4  0.11  0.37  1.0
  Al  Al6  1  0.22  0.37  0.37  1.0
  Al  Al7  1  0.78  0.37  0.37  1.0
  Al  Al8  1  0.0  0.52  0.37  1.0
  Fe  Fe9  1  0.0  0.0  0.0  1.0
  P  P10  1  0.4  0.54  0.0  1.0
  P  P11  1  0.0  0.09  0.0  1.0

data_Al9FeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al9FeP2
_chemical_formula_sum   'Al9 Fe1 P2'
_cell_volume   184.12
_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  0.4  0.0  1.0
  Al  Al1  1  0.0  0.2  0.81  1.0
  Al  Al2  1  0.0  0.8  0.81  1.0
  Al  Al3  1  0.37  0.0  0.52  1.0
  Al  Al4  1  0.37  0.18  0.26  1.0
  Al  Al5  1  0.37  0.22  0.37  1.0
  Al  Al6  1  0.37  0.4  0.11  1.0
  Al  Al7  1  0.37  0.63  0.26  1.0
  Al  Al8  1  0.37  0.78  0.37  1.0
  Fe  Fe9  1  0.0  0.0  0.0  1.0
  P  P10  1  0.0  0.0  0.09  1.0
  P  P11  1  0.0  0.4  0.54  1.0

Al Al Al Al Al Al Al Al Al Fe P P