data_TlCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   146.82
_cell_angle_beta   128.24
_cell_angle_gamma   62.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   59.42
_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
  Tl  Tl3  1  0.0  0.26  0.29  1.0
  Cr  Cr0  1  0.0  0.0  0.29  1.0
  Cr  Cr1  1  0.48  0.0  0.05  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0

data_TlCr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.53
_cell_length_c   5.19
_cell_angle_alpha   115.88
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Os
_chemical_formula_sum   'Tl1 Cr2 Os1'
_cell_volume   59.42
_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
  Tl  Tl0  1  0.74  0.03  0.03  1.0
  Cr  Cr1  1  0.0  0.05  0.56  1.0
  Cr  Cr2  1  0.0  0.29  0.29  1.0
  Os  Os3  1  0.0  0.22  0.22  1.0

Tl Cr Cr Os
Cr2OsTl crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to two equivalent Cr(2) and one Os(1) atom. There is one shorter (2.15 Å) and one longer (3.07 Å) Cr(1)-Cr(2) bond length. The Cr(1)-Os(1) bond length is 0.35 Å. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), three equivalent Os(1), and three equivalent Tl(1) atoms. Both Cr(2)-Cr(2) bond lengths are 2.96 Å. There are a spread of Cr(2)-Os(1) bond distances ranging from 2.24-3.29 Å. There are a spread of Cr(2)-Tl(1) bond distances ranging from 2.63-2.78 Å. Os(1) is bonded in a 2-coordinate geometry to one Cr(1), three equivalent Cr(2), and one Tl(1) atom. The Os(1)-Tl(1) bond length is 1.09 Å. Tl(1) is bonded in a single-bond geometry to three equivalent Cr(2) and one Os(1) atom.