data_FeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.99
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo3
_chemical_formula_sum   'Fe2 Co6'
_cell_volume   88.91
_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  Fe6  1  0.0  0.0  0.5  1.0
  Fe  Fe7  1  0.05  0.5  0.86  1.0
  Co  Co0  1  0.05  0.0  0.92  1.0
  Co  Co1  1  0.0  0.25  0.64  1.0
  Co  Co2  1  0.05  0.24  0.71  1.0
  Co  Co3  1  0.0  0.5  0.43  1.0
  Co  Co4  1  0.0  0.74  0.64  1.0
  Co  Co5  1  0.05  0.75  0.71  1.0

data_FeCo3
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   4.09
_cell_length_b   4.99
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   FeCo3
_chemical_formula_sum   'Fe2 Co6'
_cell_volume   88.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -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  2  0.02  0.25  0.68  1.0
  Co  Co1  4  0.02  0.51  0.53  1.0
  Co  Co2  2  0.02  0.75  0.75  1.0

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