data_Ce2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Fe
_chemical_formula_sum   'Ce4 Fe2'
_cell_volume   178.2
_cell_formula_units_Z   2
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  Ce0  1  0.95  0.95  0.0  1.0
  Ce  Ce1  1  0.52  0.52  0.0  1.0
  Ce  Ce2  1  0.18  0.29  0.13  1.0
  Ce  Ce3  1  0.29  0.18  0.13  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.23  0.23  0.13  1.0

data_Ce2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.14
_cell_length_b   9.14
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ce2Fe
_chemical_formula_sum   'Ce8 Fe4'
_cell_volume   356.39
_cell_formula_units_Z   4
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  4  0.23  0.05  0.13  1.0
  Ce  Ce1  2  0.02  0.5  0.0  1.0
  Ce  Ce2  2  0.45  0.5  0.0  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0
  Fe  Fe4  2  0.23  0.0  0.13  1.0

Ce Ce Ce Ce Fe Fe
Ce Ce Ce Ce Fe Fe 0 4 + + o 1 5 o o o 1 3 o o o 1 2 o o o 2 5 o o o 3 5 o o o 