data_MnTlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   150.18
_cell_angle_beta   132.55
_cell_angle_gamma   57.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlZn2
_chemical_formula_sum   'Mn1 Tl1 Zn2'
_cell_volume   72.53
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.13  1.0
  Zn  Zn2  1  0.5  0.0  0.22  1.0
  Zn  Zn3  1  0.0  0.35  0.91  1.0

data_MnTlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.7
_cell_length_c   5.84
_cell_angle_alpha   113.72
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlZn2
_chemical_formula_sum   'Mn1 Tl1 Zn2'
_cell_volume   72.53
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.13  0.13  1.0
  Zn  Zn2  1  0.0  0.22  0.72  1.0
  Zn  Zn3  1  0.65  0.56  0.56  1.0

Mn Tl Zn Zn
MnZn2Tl crystallizes in the triclinic P1 space group. Mn(1) is bonded in a distorted single-bond geometry to one Zn(1), one Zn(2), and one Tl(1) atom. The Mn(1)-Zn(1) bond length is 2.28 Å. The Mn(1)-Zn(2) bond length is 2.50 Å. The Mn(1)-Tl(1) bond length is 0.77 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and three equivalent Zn(2) atoms. There are a spread of Zn(1)-Zn(2) bond distances ranging from 2.28-3.05 Å. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one Mn(1), two equivalent Zn(2), three equivalent Zn(1), and two equivalent Tl(1) atoms. Both Zn(2)-Zn(2) bond lengths are 3.01 Å. There is one shorter (2.76 Å) and one longer (2.97 Å) Zn(2)-Tl(1) bond length. Tl(1) is bonded in a single-bond geometry to one Mn(1) and two equivalent Zn(2) atoms.