data_FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo
_chemical_formula_sum   'Fe2 Co2'
_cell_volume   58.38
_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
  Fe  Fe2  1  0.72  1.0  0.95  1.0
  Fe  Fe3  1  0.0  0.99  0.11  1.0
  Co  Co0  1  0.72  1.0  0.83  1.0
  Co  Co1  1  0.0  0.99  0.66  1.0

data_FeCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.45
_cell_length_b   5.97
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeCo
_chemical_formula_sum   'Fe4 Co4'
_cell_volume   116.76
_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
  Fe  Fe0  2  0.0  0.0  0.11  1.0
  Fe  Fe1  2  0.22  0.5  0.95  1.0
  Co  Co2  2  0.0  0.0  0.66  1.0
  Co  Co3  2  0.22  0.5  0.83  1.0

Fe Fe Co Co
Fe Fe Co Co 0 2 o o o 0 1 + o + 2 3 + o o 