data_TlCr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Re
_chemical_formula_sum   'Tl1 Cr2 Re1'
_cell_volume   62.47
_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  0.96  0.0  0.0  1.0
  Cr  Cr0  1  0.48  0.27  0.52  1.0
  Cr  Cr1  1  0.48  0.73  0.52  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

data_TlCr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Re
_chemical_formula_sum   'Tl1 Cr2 Re1'
_cell_volume   62.47
_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  0.0  0.96  0.0  1.0
  Cr  Cr1  1  0.52  0.48  0.27  1.0
  Cr  Cr2  1  0.52  0.48  0.73  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

Tl Cr Cr Re
Cr2ReTl crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), two equivalent Re(1), and two equivalent Tl(1) atoms. Both Cr(1)-Cr(1) bond lengths are 3.04 Å. There is one shorter (2.14 Å) and one longer (2.42 Å) Cr(1)-Cr(2) bond length. There is one shorter (2.75 Å) and one longer (2.82 Å) Cr(1)-Re(1) bond length. There is one shorter (3.04 Å) and one longer (3.10 Å) Cr(1)-Tl(1) bond length. In the second Cr site, Cr(2) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), two equivalent Re(1), and two equivalent Tl(1) atoms. Both Cr(2)-Cr(2) bond lengths are 3.04 Å. There is one shorter (3.04 Å) and one longer (3.10 Å) Cr(2)-Re(1) bond length. There is one shorter (2.75 Å) and one longer (2.82 Å) Cr(2)-Tl(1) bond length. Re(1) is bonded in a single-bond geometry to two equivalent Cr(1), two equivalent Cr(2), and one Tl(1) atom. The Re(1)-Tl(1) bond length is 0.17 Å. Tl(1) is bonded in a single-bond geometry to two equivalent Cr(1), two equivalent Cr(2), and one Re(1) atom.