data_HfTaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaMn2
_chemical_formula_sum   'Hf1 Ta1 Mn2'
_cell_volume   61.06
_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
  Hf  Hf0  1  0.0  0.0  0.1  1.0
  Ta  Ta3  1  0.52  0.52  0.06  1.0
  Mn  Mn1  1  0.52  0.52  0.24  1.0
  Mn  Mn2  1  0.0  0.0  0.5  1.0

data_HfTaMn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTaMn2
_chemical_formula_sum   'Hf2 Ta2 Mn4'
_cell_volume   122.11
_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
  Hf  Hf0  2  0.0  0.0  0.1  1.0
  Ta  Ta1  2  0.02  0.5  0.06  1.0
  Mn  Mn2  2  0.0  0.0  0.5  1.0
  Mn  Mn3  2  0.02  0.5  0.24  1.0

Hf Ta Mn Mn
Hf Ta Mn Mn 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 o o o 1 2 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
HfTaMn2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1), two equivalent Mn(2), and four equivalent Mn(1) atoms. There are a spread of Hf(1)-Ta(1) bond distances ranging from 2.08-2.25 Å. There is one shorter (2.66 Å) and one longer (3.94 Å) Hf(1)-Mn(2) bond length. There are a spread of Hf(1)-Mn(1) bond distances ranging from 2.26-2.43 Å. Ta(1) is bonded in a distorted single-bond geometry to four equivalent Hf(1) and one Mn(1) atom. The Ta(1)-Mn(1) bond length is 1.18 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to four equivalent Hf(1), one Ta(1), and four equivalent Mn(2) atoms. There are a spread of Mn(1)-Mn(2) bond distances ranging from 2.69-2.83 Å. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to two equivalent Hf(1), four equivalent Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 3.04 Å.