data_MnTlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlCo2
_chemical_formula_sum   'Mn1 Tl1 Co2'
_cell_volume   54.71
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.51  1.0
  Co  Co0  1  0.94  0.0  0.57  1.0
  Co  Co1  1  0.94  0.0  0.45  1.0

data_MnTlCo2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   2.79
_cell_length_b   7.01
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   MnTlCo2
_chemical_formula_sum   'Mn1 Tl1 Co2'
_cell_volume   54.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.5  0.0  1.0
  Co  Co2  2  0.0  0.43  0.94  1.0

Mn Tl Co Co
Mn Tl Co Co 0 2 - o - 0 0 o + o 0 0 + o o 0 3 - o o 1 3 - o o 1 2 - o o 
MnCo2Tl crystallizes in the monoclinic Pm space group. Mn(1) is bonded to four equivalent Mn(1), one Co(1), and one Co(2) atom to form a mixture of corner and edge-sharing MnMn4Co2 octahedra. The corner-sharing octahedra are not tilted. All Mn(1)-Mn(1) bond lengths are 2.79 Å. The Mn(1)-Co(1) bond length is 3.05 Å. The Mn(1)-Co(2) bond length is 3.15 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Mn(1) and one Tl(1) atom. The Co(1)-Tl(1) bond length is 0.44 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Mn(1) and one Tl(1) atom. The Co(2)-Tl(1) bond length is 0.44 Å. Tl(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(2) atom.