data_FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   2.46
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo
_chemical_formula_sum   'Fe2 Co2'
_cell_volume   45.54
_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  0.41  0.01  0.03  1.0
  Fe  Fe3  1  0.41  0.99  0.99  1.0
  Co  Co0  1  0.41  0.01  0.0  1.0
  Co  Co1  1  0.41  0.99  0.02  1.0

data_FeCo
_symmetry_space_group_name_H-M   Cmmm
_cell_length_a   2.82
_cell_length_b   4.03
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   65
_chemical_formula_structural   FeCo
_chemical_formula_sum   'Fe4 Co4'
_cell_volume   91.08
_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, -y, z'
  4  'x, y, -z'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x, y, -z'
  8  'x, -y, z'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, -z'
  11  '-x+1/2, -y+1/2, z'
  12  'x+1/2, y+1/2, -z'
  13  'x+1/2, -y+1/2, -z'
  14  '-x+1/2, y+1/2, z'
  15  '-x+1/2, y+1/2, -z'
  16  '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  4  0.0  0.0  0.48  1.0
  Co  Co1  4  0.0  0.0  0.49  1.0

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