data_Mn3Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   65.42
_cell_angle_beta   65.42
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe2
_chemical_formula_sum   'Mn6 Fe4'
_cell_volume   112.05
_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
  Mn  Mn4  1  0.37  0.37  0.09  1.0
  Mn  Mn5  1  0.91  0.63  0.09  1.0
  Mn  Mn6  1  0.72  0.0  0.09  1.0
  Mn  Mn7  1  0.09  0.37  0.13  1.0
  Mn  Mn8  1  0.63  0.63  0.13  1.0
  Mn  Mn9  1  0.28  1.0  0.13  1.0
  Fe  Fe0  1  0.0  0.0  0.98  1.0
  Fe  Fe1  1  0.0  0.0  0.13  1.0
  Fe  Fe2  1  0.0  0.0  0.09  1.0
  Fe  Fe3  1  0.0  0.0  0.24  1.0

data_Mn3Fe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   65.42
_cell_angle_beta   65.42
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn3Fe2
_chemical_formula_sum   'Mn6 Fe4'
_cell_volume   112.05
_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
  Mn  Mn0  2  0.0  0.72  0.48  1.0
  Mn  Mn1  2  0.37  0.37  0.48  1.0
  Mn  Mn2  2  0.37  0.09  0.52  1.0
  Fe  Fe3  2  0.0  0.0  0.37  1.0
  Fe  Fe4  2  0.0  0.0  0.48  1.0

Mn Mn Mn Mn Mn Mn Fe Fe Fe Fe