data_Mn2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.06
_cell_angle_alpha   91.49
_cell_angle_beta   91.49
_cell_angle_gamma   103.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCo
_chemical_formula_sum   'Mn2 Tl1 Co1'
_cell_volume   60.81
_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  Mn1  1  0.34  0.78  0.53  1.0
  Mn  Mn2  1  0.34  0.22  0.53  1.0
  Tl  Tl3  1  0.8  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Mn2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   103.6
_cell_angle_beta   91.49
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCo
_chemical_formula_sum   'Mn2 Tl1 Co1'
_cell_volume   60.81
_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  Mn0  1  0.53  0.34  0.22  1.0
  Mn  Mn1  1  0.53  0.34  0.78  1.0
  Tl  Tl2  1  0.0  0.8  0.0  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Mn Mn Tl Co
Mn Mn Tl Co 0 3 o + o 0 3 o + + 0 1 o + o 0 1 o o o 0 2 o + o 0 2 o + + 1 3 o o o 1 3 o o + 2 3 + o o 
Mn2CoTl crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Mn(2), two equivalent Co(1), and two equivalent Tl(1) atoms. There is one shorter (2.00 Å) and one longer (2.52 Å) Mn(1)-Mn(2) bond length. There is one shorter (2.48 Å) and one longer (2.56 Å) Mn(1)-Co(1) bond length. There is one shorter (2.51 Å) and one longer (2.70 Å) Mn(1)-Tl(1) bond length. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and two equivalent Co(1) atoms. There is one shorter (2.21 Å) and one longer (2.23 Å) Mn(2)-Co(1) bond length. Co(1) is bonded in a distorted single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Tl(1) atom. The Co(1)-Tl(1) bond length is 0.91 Å. Tl(1) is bonded in a single-bond geometry to two equivalent Mn(1) and one Co(1) atom.