data_MnAl2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   134.91
_cell_angle_beta   134.91
_cell_angle_gamma   65.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Fe
_chemical_formula_sum   'Mn1 Al2 Fe1'
_cell_volume   52.55
_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
  Mn  Mn3  1  0.0  0.0  0.98  1.0
  Al  Al0  1  0.0  0.82  0.99  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.82  0.0  0.99  1.0

data_MnAl2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   122.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAl2Fe
_chemical_formula_sum   'Mn2 Al4 Fe2'
_cell_volume   105.09
_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+1/2, y+1/2, z'
  4  'x+1/2, -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
  Mn  Mn0  2  0.0  0.0  0.02  1.0
  Al  Al1  2  0.31  0.5  0.83  1.0
  Al  Al2  2  0.49  0.5  0.0  1.0
  Fe  Fe3  2  0.5  0.5  0.83  1.0

Mn Al Al Fe