data_BaMnInFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnInFe
_chemical_formula_sum   'Ba1 Mn1 In1 Fe1'
_cell_volume   98.14
_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
  Ba  Ba0  1  0.83  0.83  0.83  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.66  0.66  0.66  1.0
  Fe  Fe1  1  0.49  0.49  0.49  1.0

data_BaMnInFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMnInFe
_chemical_formula_sum   'Ba3 Mn3 In3 Fe3'
_cell_volume   294.43
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.34  1.0
  Fe  Fe3  3  0.0  0.0  0.51  1.0

Ba Mn In Fe
BaMnFeIn crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Mn(1), three equivalent Fe(1), and one In(1) atom to form distorted BaMnInFe3 trigonal bipyramids that share corners with six equivalent Ba(1)MnInFe3 trigonal bipyramids and  a cornercorner with one Fe(1)Ba3In trigonal pyramid. The Ba(1)-Mn(1) bond length is 2.15 Å. All Ba(1)-Fe(1) bond lengths are 2.99 Å. The Ba(1)-In(1) bond length is 2.15 Å. Mn(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. Fe(1) is bonded to three equivalent Ba(1) and one In(1) atom to form FeBa3In trigonal pyramids that share  a cornercorner with one Ba(1)MnInFe3 trigonal bipyramid and corners with six equivalent Fe(1)Ba3In trigonal pyramids. The Fe(1)-In(1) bond length is 2.15 Å. In(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Fe(1) atom.