data_Fe5Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.88
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Co3
_chemical_formula_sum   'Fe5 Co3'
_cell_volume   89.97
_cell_formula_units_Z   1
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  Fe3  1  0.46  0.94  0.0  1.0
  Fe  Fe4  1  0.46  0.0  0.96  1.0
  Fe  Fe5  1  0.0  0.0  0.98  1.0
  Fe  Fe6  1  0.46  0.0  1.0  1.0
  Fe  Fe7  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.94  0.01  1.0
  Co  Co1  1  0.46  0.94  0.98  1.0
  Co  Co2  1  0.0  0.94  0.95  1.0

data_Fe5Co3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.88
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Co3
_chemical_formula_sum   'Fe5 Co3'
_cell_volume   89.97
_cell_formula_units_Z   1
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  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.98  1.0
  Fe  Fe2  1  0.46  0.0  0.96  1.0
  Fe  Fe3  1  0.46  0.0  1.0  1.0
  Fe  Fe4  1  0.46  0.94  0.0  1.0
  Co  Co5  1  -0.0  0.94  0.01  1.0
  Co  Co6  1  -0.0  0.94  0.95  1.0
  Co  Co7  1  0.46  0.94  0.98  1.0

Fe Fe Fe Fe Fe Co Co Co
Fe Fe Fe Fe Fe Co Co Co 0 6 o o - 0 3 o + - 1 6 o - o 1 3 o o o 2 4 o o + 2 7 o - o 3 6 o - o 4 5 o - o 