data_FeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   8.21
_cell_angle_alpha   162.8
_cell_angle_beta   153.09
_cell_angle_gamma   32.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2
_chemical_formula_sum   'Fe2 Co4'
_cell_volume   73.88
_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  Fe4  1  0.0  0.95  0.76  1.0
  Fe  Fe5  1  0.23  0.95  0.13  1.0
  Co  Co0  1  0.0  0.95  0.59  1.0
  Co  Co1  1  0.0  0.95  0.94  1.0
  Co  Co2  1  0.23  0.95  0.95  1.0
  Co  Co3  1  0.23  0.95  0.3  1.0

data_FeCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.45
_cell_length_b   3.82
_cell_length_c   8.21
_cell_angle_alpha   103.45
_cell_angle_beta   98.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FeCo2
_chemical_formula_sum   'Fe2 Co4'
_cell_volume   73.88
_cell_formula_units_Z   2
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  0.07  0.19  0.07  1.0
  Co  Co1  2  0.11  1.0  0.11  1.0
  Co  Co2  2  0.24  0.35  0.24  1.0

Fe Fe Co Co Co Co
Fe Fe Co Co Co Co 0 4 o o o 0 2 o o o 1 3 o o - 1 5 o o o 2 4 o o o 3 5 o o + 