data_TiTlCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   3.97
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   112.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCuTe3
_chemical_formula_sum   'Ti2 Tl2 Cu2 Te6'
_cell_volume   329.84
_cell_formula_units_Z   2
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
  Ti  Ti8  1  0.43  0.98  0.68  1.0
  Ti  Ti9  1  0.19  0.99  0.96  1.0
  Tl  Tl10  1  0.26  0.98  0.79  1.0
  Tl  Tl11  1  0.37  0.99  0.86  1.0
  Cu  Cu0  1  0.36  0.99  0.82  1.0
  Cu  Cu1  1  0.27  0.98  0.82  1.0
  Te  Te2  1  0.46  0.99  0.16  1.0
  Te  Te3  1  0.36  0.99  0.42  1.0
  Te  Te4  1  0.67  0.98  0.27  1.0
  Te  Te5  1  0.95  0.99  0.38  1.0
  Te  Te6  1  0.26  0.98  0.23  1.0
  Te  Te7  1  0.17  0.98  0.48  1.0

data_TiTlCuTe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   8.6
_cell_length_c   10.44
_cell_angle_alpha   112.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiTlCuTe3
_chemical_formula_sum   'Ti2 Tl2 Cu2 Te6'
_cell_volume   329.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti0  2  0.01  0.38  0.14  1.0
  Tl  Tl1  2  0.01  0.55  0.04  1.0
  Cu  Cu2  2  0.01  0.54  0.0  1.0
  Te  Te3  2  0.01  0.14  0.56  1.0
  Te  Te4  2  0.01  0.55  0.6  1.0
  Te  Te5  2  0.01  0.64  0.34  1.0

Ti Ti Tl Tl Cu Cu Te Te Te Te Te Te