data_MnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe
_chemical_formula_sum   'Mn2 Fe2'
_cell_volume   42.3
_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  Mn2  1  0.22  0.44  0.86  1.0
  Mn  Mn3  1  0.22  0.56  0.95  1.0
  Fe  Fe0  1  0.22  0.11  0.86  1.0
  Fe  Fe1  1  0.22  0.89  0.95  1.0

data_MnFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.45
_cell_length_b   3.81
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   105.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnFe
_chemical_formula_sum   'Mn2 Fe2'
_cell_volume   42.3
_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  0.44  0.05  0.94  1.0
  Fe  Fe1  2  0.11  0.05  0.61  1.0

Mn Mn Fe Fe