data_Ce(Al2Fe)4
_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   98.08
_cell_angle_beta   98.08
_cell_angle_gamma   135.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(Al2Fe)4
_chemical_formula_sum   'Ce1 Al8 Fe4'
_cell_volume   195.59
_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
  Ce  Ce8  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.98  0.0  0.52  1.0
  Al  Al1  1  0.41  0.42  0.0  1.0
  Al  Al2  1  0.03  0.0  0.0  1.0
  Al  Al3  1  0.0  0.78  0.0  1.0
  Al  Al4  1  0.78  0.0  0.0  1.0
  Al  Al5  1  0.0  0.03  0.0  1.0
  Al  Al6  1  0.0  0.98  0.52  1.0
  Al  Al7  1  0.42  0.41  0.0  1.0
  Fe  Fe9  1  0.2  0.2  0.26  1.0
  Fe  Fe10  1  0.2  0.2  0.74  1.0
  Fe  Fe11  1  0.8  0.2  0.26  1.0
  Fe  Fe12  1  0.2  0.8  0.26  1.0

data_Ce(Al2Fe)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   12.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ce(Al2Fe)4
_chemical_formula_sum   'Ce2 Al16 Fe8'
_cell_volume   391.18
_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
  Ce  Ce0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.03  0.49  0.52  1.0
  Al  Al2  4  0.09  0.49  0.0  1.0
  Al  Al3  4  0.11  0.11  0.0  1.0
  Al  Al4  4  0.49  0.51  0.0  1.0
  Fe  Fe5  4  0.26  0.2  0.26  1.0
  Fe  Fe6  2  0.04  0.5  0.74  1.0
  Fe  Fe7  2  0.06  0.0  0.26  1.0

Ce Al Al Al Al Al Al Al Al Fe Fe Fe Fe