data_Al8Cr4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   98.49
_cell_angle_beta   98.49
_cell_angle_gamma   134.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8Cr4P
_chemical_formula_sum   'Al8 Cr4 P1'
_cell_volume   199.04
_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  0.7  0.0  1.0
  Al  Al1  1  0.0  0.07  0.0  1.0
  Al  Al2  1  0.07  0.0  0.0  1.0
  Al  Al3  1  0.7  0.0  0.0  1.0
  Al  Al4  1  0.39  0.38  0.0  1.0
  Al  Al5  1  0.0  0.01  0.58  1.0
  Al  Al6  1  0.01  0.0  0.58  1.0
  Al  Al7  1  0.38  0.39  0.0  1.0
  Cr  Cr8  1  0.81  0.19  0.29  1.0
  Cr  Cr9  1  0.19  0.81  0.29  1.0
  Cr  Cr10  1  0.19  0.19  0.71  1.0
  Cr  Cr11  1  0.19  0.19  0.29  1.0
  P  P12  1  0.0  0.0  0.0  1.0

data_Al8Cr4P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   12.41
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   112.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al8Cr4P
_chemical_formula_sum   'Al16 Cr8 P2'
_cell_volume   398.09
_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  0.5  0.58  1.0
  Al  Al1  4  0.12  0.5  0.0  1.0
  Al  Al2  4  0.15  0.15  0.0  1.0
  Al  Al3  4  0.46  0.46  0.0  1.0
  Cr  Cr4  4  0.29  0.19  0.29  1.0
  Cr  Cr5  2  0.01  0.5  0.71  1.0
  Cr  Cr6  2  0.1  0.0  0.29  1.0
  P  P7  2  0.0  0.0  0.0  1.0

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