data_FeCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo5
_chemical_formula_sum   'Fe1 Co5'
_cell_volume   73.49
_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  Fe5  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.15  0.99  0.02  1.0
  Co  Co1  1  0.29  0.32  0.0  1.0
  Co  Co2  1  0.85  0.99  0.02  1.0
  Co  Co3  1  0.29  0.0  0.02  1.0
  Co  Co4  1  0.0  0.65  0.0  1.0

data_FeCo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo5
_chemical_formula_sum   'Fe1 Co5'
_cell_volume   73.49
_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
  Co  Co1  1  -0.0  0.0  0.65  1.0
  Co  Co2  1  -0.0  0.29  0.32  1.0
  Co  Co3  1  0.02  0.15  0.99  1.0
  Co  Co4  1  0.02  0.29  0.0  1.0
  Co  Co5  1  0.02  0.85  0.99  1.0

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