data_Tl5W4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5W4
_chemical_formula_sum   'Tl10 W8'
_cell_volume   362.4
_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
  Tl  Tl0  1  0.06  0.3  0.25  1.0
  Tl  Tl1  1  0.48  0.0  0.25  1.0
  Tl  Tl2  1  0.76  0.14  0.25  1.0
  Tl  Tl3  1  0.24  0.14  0.42  1.0
  Tl  Tl4  1  0.12  0.0  0.42  1.0
  Tl  Tl5  1  0.94  0.3  0.42  1.0
  Tl  Tl6  1  0.0  0.96  0.83  1.0
  Tl  Tl7  1  0.3  0.48  0.0  1.0
  Tl  Tl8  1  0.3  0.48  0.83  1.0
  Tl  Tl9  1  0.0  0.96  0.0  1.0
  W  W10  1  0.0  0.0  0.83  1.0
  W  W11  1  0.0  0.0  0.0  1.0
  W  W12  1  0.64  0.83  0.25  1.0
  W  W13  1  0.32  0.0  0.25  1.0
  W  W14  1  0.34  0.61  0.25  1.0
  W  W15  1  0.66  0.61  0.42  1.0
  W  W16  1  0.27  0.0  0.42  1.0
  W  W17  1  0.36  0.83  0.42  1.0

data_Tl5W4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.66
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5W4
_chemical_formula_sum   'Tl10 W8'
_cell_volume   362.4
_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
  Tl  Tl0  1  0.0  0.0  0.96  1.0
  Tl  Tl1  1  0.0  0.3  0.48  1.0
  Tl  Tl2  1  0.25  0.06  0.3  1.0
  Tl  Tl3  1  0.25  0.48  0.0  1.0
  Tl  Tl4  1  0.25  0.76  0.14  1.0
  Tl  Tl5  1  0.42  0.12  0.0  1.0
  Tl  Tl6  1  0.42  0.24  0.14  1.0
  Tl  Tl7  1  0.42  0.94  0.3  1.0
  Tl  Tl8  1  0.83  0.0  0.96  1.0
  Tl  Tl9  1  0.83  0.3  0.48  1.0
  W  W10  1  0.0  0.0  0.0  1.0
  W  W11  1  0.25  0.32  0.0  1.0
  W  W12  1  0.25  0.34  0.61  1.0
  W  W13  1  0.25  0.64  0.83  1.0
  W  W14  1  0.42  0.27  0.0  1.0
  W  W15  1  0.42  0.36  0.83  1.0
  W  W16  1  0.42  0.66  0.61  1.0
  W  W17  1  0.83  0.0  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl W W W W W W W W
Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl W W W W W W W W 0 5 - o o 1 13 o o o 1 2 o o o 1 12 o - o 1 17 o - o 2 5 o o o 2 12 o - o 3 4 o o o 4 16 o o o 6 10 o + o 7 8 o o - 7 14 o o o 9 11 o + o 12 14 o o o 12 17 o o o 12 15 o o o 13 16 o o o 13 17 o - o 14 17 o o o 16 17 o - o 