data_TlCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2As
_chemical_formula_sum   'Tl1 Cr2 As1'
_cell_volume   78.74
_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  0.73  0.73  0.15  1.0
  Cr  Cr1  1  0.73  0.73  0.18  1.0
  Cr  Cr2  1  0.0  0.0  0.51  1.0
  As  As0  1  0.0  0.0  0.57  1.0

data_TlCr2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2As
_chemical_formula_sum   'Tl2 Cr4 As2'
_cell_volume   157.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.23  0.5  0.15  1.0
  Cr  Cr1  2  0.0  0.0  0.51  1.0
  Cr  Cr2  2  0.23  0.5  0.18  1.0
  As  As3  2  0.0  0.0  0.57  1.0

Tl Cr Cr As
CrTlCrAs is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ft-0694905 molecules and two CrTl clusters. In each CrTl cluster, Cr(1) is bonded in a single-bond geometry to one Tl(1) atom. The Cr(1)-Tl(1) bond length is 0.21 Å. Tl(1) is bonded in a single-bond geometry to one Cr(1) atom.