data_Mn2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.72
_cell_angle_alpha   101.94
_cell_angle_beta   101.94
_cell_angle_gamma   34.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InFe
_chemical_formula_sum   'Mn2 In1 Fe1'
_cell_volume   59.95
_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  Mn2  1  0.09  0.0  0.53  1.0
  Mn  Mn3  1  0.48  0.0  0.43  1.0
  In  In1  1  0.61  0.0  0.16  1.0
  Fe  Fe0  1  0.07  0.0  0.4  1.0

data_Mn2InFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.72
_cell_length_c   4.78
_cell_angle_alpha   101.94
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InFe
_chemical_formula_sum   'Mn2 In1 Fe1'
_cell_volume   59.95
_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  Mn0  1  0.0  0.43  0.48  1.0
  Mn  Mn1  1  0.0  0.53  0.09  1.0
  In  In2  1  0.0  0.16  0.61  1.0
  Fe  Fe3  1  0.0  0.4  0.07  1.0

Mn Mn In Fe
Mn Mn In Fe 0 3 o o o 1 2 o o o 