data_TiMnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   2.58
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnCo2
_chemical_formula_sum   'Ti1 Mn1 Co2'
_cell_volume   46.32
_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  Ti3  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.48  1.0
  Co  Co0  1  0.29  0.29  0.89  1.0
  Co  Co1  1  0.29  0.29  0.06  1.0

data_TiMnCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiMnCo2
_chemical_formula_sum   'Ti2 Mn2 Co4'
_cell_volume   92.64
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.48  1.0
  Co  Co2  2  0.29  0.0  0.06  1.0
  Co  Co3  2  0.29  0.0  0.89  1.0

Ti Mn Co Co
TiMnCo2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 2-coordinate geometry to one Co(1) and one Co(2) atom. The Ti(1)-Co(1) bond length is 1.31 Å. The Ti(1)-Co(2) bond length is 1.15 Å. Mn(1) is bonded in a 6-coordinate geometry to four equivalent Mn(1), one Co(1), and one Co(2) atom. All Mn(1)-Mn(1) bond lengths are 2.58 Å. The Mn(1)-Co(1) bond length is 3.05 Å. The Mn(1)-Co(2) bond length is 3.05 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Ti(1), one Mn(1), and one Co(2) atom. The Co(1)-Co(2) bond length is 1.23 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Ti(1), one Mn(1), and one Co(1) atom.