data_TlInTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.77
_cell_length_c   3.95
_cell_angle_alpha   76.26
_cell_angle_beta   70.42
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInTe
_chemical_formula_sum   'Tl1 In1 Te1'
_cell_volume   96.32
_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  Tl2  1  0.52  0.04  0.09  1.0
  In  In0  1  0.52  0.04  0.26  1.0
  Te  Te1  1  0.52  0.04  0.22  1.0

data_TlInTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   12.57
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   129.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlInTe
_chemical_formula_sum   'Tl2 In2 Te2'
_cell_volume   192.64
_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  0.09  0.0  0.61  1.0
  In  In1  2  0.26  0.0  0.78  1.0
  Te  Te2  2  0.22  0.0  0.74  1.0

Tl In Te
Tl In Te 0 2 o o o 1 2 o o o 