data_TaMn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   9.15
_cell_length_c   9.15
_cell_angle_alpha   18.72
_cell_angle_beta   18.72
_cell_angle_gamma   18.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2In
_chemical_formula_sum   'Ta1 Mn2 In1'
_cell_volume   68.98
_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  Ta3  1  0.0  0.0  0.48  1.0
  Mn  Mn1  1  0.0  0.0  0.32  1.0
  Mn  Mn2  1  0.0  0.0  0.64  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_TaMn2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMn2In
_chemical_formula_sum   'Ta2 Mn4 In2'
_cell_volume   137.95
_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  0.0  0.0  0.52  1.0
  Mn  Mn1  2  0.0  0.0  0.36  1.0
  Mn  Mn2  2  0.0  0.0  0.68  1.0
  In  In3  2  0.0  0.0  0.0  1.0

Ta Mn Mn In
Ta Mn Mn In 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
TaMn2In crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. The Ta(1)-Mn(1) bond length is 1.47 Å. The Ta(1)-Mn(2) bond length is 1.47 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Ta(1) and one In(1) atom. The Mn(1)-In(1) bond length is 2.94 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Ta(1) and one In(1) atom. The Mn(2)-In(1) bond length is 3.27 Å. In(1) is bonded to one Mn(1), one Mn(2), and six equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing InMn2In6 hexagonal bipyramids. All In(1)-In(1) bond lengths are 2.98 Å.