data_TlTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63
_cell_length_b   10.63
_cell_length_c   10.63
_cell_angle_alpha   18.97
_cell_angle_beta   18.97
_cell_angle_gamma   18.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2Cl
_chemical_formula_sum   'Tl1 Te2 Cl1'
_cell_volume   110.99
_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  0.66  1.0
  Te  Te1  1  0.0  0.0  0.33  1.0
  Te  Te2  1  0.0  0.0  0.98  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlTe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.5
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlTe2Cl
_chemical_formula_sum   'Tl2 Te4 Cl2'
_cell_volume   221.97
_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  0.34  1.0
  Te  Te1  2  -0.0  0.0  0.02  1.0
  Te  Te2  2  -0.0  0.0  0.67  1.0
  Cl  Cl3  2  -0.0  0.0  0.0  1.0

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