data_Fe3Co5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45
_cell_length_b   2.45
_cell_length_c   16.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co5
_chemical_formula_sum   'Fe3 Co5'
_cell_volume   90.61
_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  0.41  0.0  0.02  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Fe  Fe7  1  0.41  0.0  0.98  1.0
  Co  Co0  1  0.0  0.0  0.99  1.0
  Co  Co1  1  0.41  0.0  0.99  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.41  0.0  0.01  1.0
  Co  Co4  1  0.0  0.0  0.01  1.0

data_Fe3Co5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.45
_cell_length_b   16.0
_cell_length_c   2.45
_cell_angle_alpha   90.0
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe3Co5
_chemical_formula_sum   'Fe3 Co5'
_cell_volume   90.61
_cell_formula_units_Z   1
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  0.41  0.48  0.0  1.0
  Fe  Fe1  1  0.0  0.5  0.0  1.0
  Co  Co2  2  0.0  0.49  0.0  1.0
  Co  Co3  2  0.41  0.49  0.0  1.0
  Co  Co4  1  0.0  0.5  0.0  1.0

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