data_Fe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   3.95
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co
_chemical_formula_sum   'Fe8 Co4'
_cell_volume   139.26
_cell_formula_units_Z   4
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
  Fe  Fe4  1  0.13  0.99  0.78  1.0
  Fe  Fe5  1  0.81  0.99  0.2  1.0
  Fe  Fe6  1  0.63  0.96  0.6  1.0
  Fe  Fe7  1  0.31  0.96  0.38  1.0
  Fe  Fe8  1  0.58  0.99  0.82  1.0
  Fe  Fe9  1  0.26  0.99  0.6  1.0
  Fe  Fe10  1  0.08  0.96  0.0  1.0
  Fe  Fe11  1  0.76  0.96  0.43  1.0
  Co  Co0  1  0.82  0.99  0.66  1.0
  Co  Co1  1  0.62  0.96  0.06  1.0
  Co  Co2  1  0.27  0.99  0.15  1.0
  Co  Co3  1  0.07  0.96  0.55  1.0

data_Fe2Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.95
_cell_length_b   4.89
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe2Co
_chemical_formula_sum   'Fe8 Co4'
_cell_volume   139.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Fe  Fe0  2  0.01  0.31  0.0  1.0
  Fe  Fe1  2  0.01  0.63  0.22  1.0
  Fe  Fe2  2  0.01  0.19  0.18  1.0
  Fe  Fe3  2  0.01  0.87  0.6  1.0
  Co  Co4  2  0.01  0.32  0.55  1.0
  Co  Co5  2  0.01  0.88  0.06  1.0

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