data_TlCrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   20.22
_cell_angle_beta   20.22
_cell_angle_gamma   20.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrTe2
_chemical_formula_sum   'Tl1 Cr1 Te2'
_cell_volume   103.51
_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  0.0  0.64  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.05  1.0
  Te  Te2  1  0.0  0.0  0.23  1.0

data_TlCrTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   3.5
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCrTe2
_chemical_formula_sum   'Tl2 Cr2 Te4'
_cell_volume   207.02
_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  0.0  0.0  0.36  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.77  1.0
  Te  Te3  2  0.0  0.0  0.95  1.0

Tl Cr Te Te
Tl Cr Te Te 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o + 0 1 o o + 1 2 o o o 2 3 o o o 