data_Ta2MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnIn
_chemical_formula_sum   'Ta2 Mn1 In1'
_cell_volume   68.84
_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
  Ta  Ta2  1  0.48  0.48  0.57  1.0
  Ta  Ta3  1  0.48  0.48  0.24  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.9  1.0

data_Ta2MnIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2MnIn
_chemical_formula_sum   'Ta4 Mn2 In2'
_cell_volume   137.67
_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
  Ta  Ta0  2  0.48  0.0  0.24  1.0
  Ta  Ta1  2  0.48  0.0  0.57  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.9  1.0

Ta Ta Mn In
Ta Ta Mn In 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o - 1 3 o + - 1 3 + o - 1 1 + o o 1 1 o + o 2 3 o o - 
Ta2MnIn crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 9-coordinate geometry to one Ta(2), four equivalent Ta(1), and four equivalent In(1) atoms. The Ta(1)-Ta(2) bond length is 2.56 Å. All Ta(1)-Ta(1) bond lengths are 2.97 Å. There are a spread of Ta(1)-In(1) bond distances ranging from 3.32-3.40 Å. In the second Ta site, Ta(2) is bonded in a 9-coordinate geometry to one Ta(1), four equivalent Ta(2), and four equivalent Mn(1) atoms. All Ta(2)-Ta(2) bond lengths are 2.97 Å. There are a spread of Ta(2)-Mn(1) bond distances ranging from 2.77-2.87 Å. Mn(1) is bonded in a single-bond geometry to four equivalent Ta(2) and one In(1) atom. The Mn(1)-In(1) bond length is 0.75 Å. In(1) is bonded in a single-bond geometry to four equivalent Ta(1) and one Mn(1) atom.