data_Li2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   97.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlCr
_chemical_formula_sum   'Li2 Tl1 Cr1'
_cell_volume   75.79
_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
  Li  Li1  1  0.11  0.4  0.25  1.0
  Li  Li2  1  0.28  0.4  0.9  1.0
  Tl  Tl3  1  0.2  0.0  0.57  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Li2TlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   97.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlCr
_chemical_formula_sum   'Li2 Tl1 Cr1'
_cell_volume   75.79
_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
  Li  Li0  1  0.11  0.4  0.25  1.0
  Li  Li1  1  0.28  0.4  0.9  1.0
  Tl  Tl2  1  0.2  0.0  0.57  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Li Li Tl Cr
Li2CrTl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and two equivalent Tl(1) atoms. The Li(1)-Li(2) bond length is 1.94 Å. The Li(1)-Cr(1) bond length is 2.29 Å. There is one shorter (2.53 Å) and one longer (3.35 Å) Li(1)-Tl(1) bond length. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Li(1), one Cr(1), and two equivalent Tl(1) atoms. The Li(2)-Cr(1) bond length is 2.17 Å. There is one shorter (2.53 Å) and one longer (3.35 Å) Li(2)-Tl(1) bond length. Cr(1) is bonded in a 2-coordinate geometry to one Li(1), one Li(2), and three equivalent Tl(1) atoms. There are a spread of Cr(1)-Tl(1) bond distances ranging from 2.37-3.10 Å. Tl(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Li(2), three equivalent Cr(1), and two equivalent Tl(1) atoms. Both Tl(1)-Tl(1) bond lengths are 3.07 Å.