data_Al8Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   98.7
_cell_angle_beta   98.7
_cell_angle_gamma   134.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8Fe4P
_chemical_formula_sum   'Al8 Fe4 P1'
_cell_volume   186.36
_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  0.73  0.0  0.0  1.0
  Al  Al1  1  0.81  0.0  0.0  1.0
  Al  Al2  1  0.0  0.81  0.0  1.0
  Al  Al3  1  0.0  0.73  0.0  1.0
  Al  Al4  1  0.34  0.27  0.0  1.0
  Al  Al5  1  0.94  0.0  0.55  1.0
  Al  Al6  1  0.0  0.94  0.55  1.0
  Al  Al7  1  0.27  0.34  0.0  1.0
  Fe  Fe8  1  0.86  0.14  0.28  1.0
  Fe  Fe9  1  0.14  0.86  0.28  1.0
  Fe  Fe10  1  0.14  0.14  0.28  1.0
  Fe  Fe11  1  0.14  0.14  0.72  1.0
  P  P12  1  0.0  0.0  0.0  1.0

data_Al8Fe4P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   12.09
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   112.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al8Fe4P
_chemical_formula_sum   'Al16 Fe8 P2'
_cell_volume   372.72
_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  4  0.08  0.47  0.55  1.0
  Al  Al1  4  0.09  0.09  0.0  1.0
  Al  Al2  4  0.13  0.13  0.0  1.0
  Al  Al3  4  0.2  0.47  0.0  1.0
  Fe  Fe4  4  0.28  0.14  0.28  1.0
  Fe  Fe5  2  0.09  0.5  0.72  1.0
  Fe  Fe6  2  0.14  0.0  0.28  1.0
  P  P7  2  0.0  0.0  0.0  1.0

Al Al Al Al Al Al Al Al Fe Fe Fe Fe P
Al Al Al Al Al Al Al Al Fe Fe Fe Fe P 0 1 o o o 0 8 o o o 1 8 o o o 1 10 + o o 1 12 + o o 2 3 o o o 2 9 o o o 2 10 o + o 2 12 o + o 3 9 o o o 4 7 o o o 5 6 + - o 5 11 + o o 6 11 o + o 8 10 + o o 9 10 o + o 10 12 o o o 