data_Ti2MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnIn
_chemical_formula_sum   'Ti2 Mn1 In1'
_cell_volume   68.07
_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
  Ti  Ti2  1  0.11  0.0  0.17  1.0
  Ti  Ti3  1  0.0  0.0  0.75  1.0
  Mn  Mn1  1  0.0  0.0  0.69  1.0
  In  In0  1  0.11  0.0  0.57  1.0

data_Ti2MnIn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2MnIn
_chemical_formula_sum   'Ti2 Mn1 In1'
_cell_volume   68.09
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.0  0.0  0.75  1.0
  Ti  Ti1  1  0.11  0.0  0.17  1.0
  Mn  Mn2  1  0.0  0.0  0.69  1.0
  In  In3  1  0.11  0.0  0.57  1.0

Ti Ti Mn In
Ti2MnIn crystallizes in the monoclinic Pm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Ti(2), four equivalent Ti(1), and one In(1) atom to form a mixture of distorted edge and corner-sharing TiTi5In octahedra. The corner-sharing octahedra are not tilted. The Ti(1)-Ti(2) bond length is 3.11 Å. All Ti(1)-Ti(1) bond lengths are 3.02 Å. The Ti(1)-In(1) bond length is 3.01 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) and one Mn(1) atom. The Ti(2)-Mn(1) bond length is 0.50 Å. Mn(1) is bonded in a bent 150 degrees geometry to one Ti(2) and one In(1) atom. The Mn(1)-In(1) bond length is 0.93 Å. In(1) is bonded in a single-bond geometry to one Ti(1) and one Mn(1) atom.