data_MnIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.26
_cell_angle_alpha   100.47
_cell_angle_beta   100.47
_cell_angle_gamma   36.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Fe
_chemical_formula_sum   'Mn1 In2 Fe1'
_cell_volume   71.67
_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  0.0  1.0
  In  In1  1  0.64  0.0  0.32  1.0
  In  In2  1  0.51  0.0  0.84  1.0
  Fe  Fe0  1  0.08  0.0  0.58  1.0

data_MnIn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.82
_cell_length_c   5.26
_cell_angle_alpha   100.47
_cell_angle_beta   90.0
_cell_angle_gamma   108.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Fe
_chemical_formula_sum   'Mn1 In2 Fe1'
_cell_volume   71.67
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.36  0.68  1.0
  In  In2  1  0.0  0.49  0.16  1.0
  Fe  Fe3  1  0.0  0.92  0.42  1.0

Mn In In Fe