data_Tl2Te5P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   15.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Te5P
_chemical_formula_sum   'Tl8 Te20 P4'
_cell_volume   1070.57
_cell_formula_units_Z   4
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  Tl24  1  0.22  0.22  0.82  1.0
  Tl  Tl25  1  0.0  0.0  0.24  1.0
  Tl  Tl26  1  0.22  0.22  0.24  1.0
  Tl  Tl27  1  0.0  0.0  0.82  1.0
  Tl  Tl28  1  0.22  0.22  0.71  1.0
  Tl  Tl29  1  0.0  0.0  0.35  1.0
  Tl  Tl30  1  0.22  0.22  0.35  1.0
  Tl  Tl31  1  0.0  0.0  0.71  1.0
  Te  Te4  1  0.61  0.82  0.0  1.0
  Te  Te5  1  0.83  0.61  0.0  1.0
  Te  Te6  1  0.61  0.61  0.0  1.0
  Te  Te7  1  0.82  0.83  0.0  1.0
  Te  Te8  1  0.22  0.0  0.11  1.0
  Te  Te9  1  0.0  0.22  0.11  1.0
  Te  Te10  1  0.0  0.22  0.95  1.0
  Te  Te11  1  0.22  0.0  0.95  1.0
  Te  Te12  1  0.43  0.65  0.29  1.0
  Te  Te13  1  0.0  0.78  0.29  1.0
  Te  Te14  1  0.78  0.43  0.29  1.0
  Te  Te15  1  0.65  0.0  0.29  1.0
  Te  Te16  1  0.78  0.43  0.77  1.0
  Te  Te17  1  0.65  0.0  0.77  1.0
  Te  Te18  1  0.43  0.65  0.77  1.0
  Te  Te19  1  0.0  0.78  0.77  1.0
  Te  Te20  1  0.75  0.96  0.53  1.0
  Te  Te21  1  0.69  0.47  0.53  1.0
  Te  Te22  1  0.47  0.75  0.53  1.0
  Te  Te23  1  0.96  0.69  0.53  1.0
  P  P0  1  0.0  0.22  0.82  1.0
  P  P1  1  0.22  0.0  0.82  1.0
  P  P2  1  0.22  0.0  0.24  1.0
  P  P3  1  0.0  0.22  0.24  1.0

data_Tl2Te5P
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   15.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Te5P
_chemical_formula_sum   'Tl8 Te20 P4'
_cell_volume   1070.57
_cell_formula_units_Z   4
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  Tl0  1  0.0  0.0  0.24  1.0
  Tl  Tl1  1  0.0  0.0  0.35  1.0
  Tl  Tl2  1  0.0  0.0  0.71  1.0
  Tl  Tl3  1  0.0  0.0  0.82  1.0
  Tl  Tl4  1  0.22  0.22  0.24  1.0
  Tl  Tl5  1  0.22  0.22  0.35  1.0
  Tl  Tl6  1  0.22  0.22  0.71  1.0
  Tl  Tl7  1  0.22  0.22  0.82  1.0
  Te  Te8  1  0.0  0.22  0.11  1.0
  Te  Te9  1  0.0  0.22  0.95  1.0
  Te  Te10  1  0.0  0.78  0.29  1.0
  Te  Te11  1  0.0  0.78  0.77  1.0
  Te  Te12  1  0.22  0.0  0.11  1.0
  Te  Te13  1  0.22  0.0  0.95  1.0
  Te  Te14  1  0.43  0.65  0.29  1.0
  Te  Te15  1  0.43  0.65  0.77  1.0
  Te  Te16  1  0.47  0.75  0.53  1.0
  Te  Te17  1  0.61  0.82  0.0  1.0
  Te  Te18  1  0.61  0.61  0.0  1.0
  Te  Te19  1  0.65  0.0  0.29  1.0
  Te  Te20  1  0.65  0.0  0.77  1.0
  Te  Te21  1  0.69  0.47  0.53  1.0
  Te  Te22  1  0.75  0.96  0.53  1.0
  Te  Te23  1  0.78  0.43  0.29  1.0
  Te  Te24  1  0.78  0.43  0.77  1.0
  Te  Te25  1  0.82  0.83  0.0  1.0
  Te  Te26  1  0.83  0.61  0.0  1.0
  Te  Te27  1  0.96  0.69  0.53  1.0
  P  P28  1  0.0  0.22  0.24  1.0
  P  P29  1  0.0  0.22  0.82  1.0
  P  P30  1  0.22  0.0  0.24  1.0
  P  P31  1  0.22  0.0  0.82  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te P P P P
Tl Tl Tl Tl Tl Tl Tl Tl Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te P P P P 0 28 o o o 0 29 o o o 0 4 o o o 0 22 o o o 1 17 o - o 1 30 o o o 1 5 o o o 1 31 o o o 1 19 - o o 2 31 o o o 2 30 o o o 2 6 o o o 2 16 o o o 3 23 o - o 3 29 o o o 3 7 o o o 3 28 o o o 3 21 - o o 4 22 o o o 5 17 o - o 5 19 - o o 5 24 - - o 6 16 o o o 7 21 - o o 7 23 o - o 7 24 - - o 8 10 o o o 8 11 o o o 8 21 o + - 8 22 o o - 9 10 o o o 9 11 o o o 10 22 o o - 12 15 o o - 12 30 o o o 13 14 o o - 13 31 o o o 14 28 o o o 15 29 o o o 16 30 o + o 16 17 o o o 16 18 o o o 16 19 o + o 16 26 o o o 17 19 - + o 18 31 + o o 18 19 o o o 19 30 o o o 19 24 o - o 19 31 + o o 20 28 + o o 20 21 o o o 20 22 o o o 21 29 o o o 21 22 o - o 21 24 o - o 21 23 + - o 21 28 + o o 22 29 o + o 22 23 o o o 22 26 o o o 24 26 o o o 24 27 o o o 25 26 o o o 25 27 o o o 