data_TaTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl3
_chemical_formula_sum   'Ta4 Tl12'
_cell_volume   387.2
_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
  Ta  Ta0  1  0.0  0.0  0.51  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.19  0.84  0.26  1.0
  Ta  Ta3  1  0.0  0.68  0.75  1.0
  Tl  Tl4  1  0.41  0.76  0.51  1.0
  Tl  Tl5  1  0.41  0.76  0.0  1.0
  Tl  Tl6  1  0.59  0.76  0.51  1.0
  Tl  Tl7  1  0.19  0.0  0.51  1.0
  Tl  Tl8  1  0.19  0.0  0.0  1.0
  Tl  Tl9  1  0.59  0.76  0.0  1.0
  Tl  Tl10  1  0.63  0.62  0.26  1.0
  Tl  Tl11  1  0.55  0.9  0.75  1.0
  Tl  Tl12  1  0.37  0.62  0.26  1.0
  Tl  Tl13  1  0.0  0.8  0.26  1.0
  Tl  Tl14  1  0.19  0.72  0.75  1.0
  Tl  Tl15  1  0.82  0.9  0.75  1.0

data_TaTl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl3
_chemical_formula_sum   'Ta4 Tl12'
_cell_volume   387.2
_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
  Ta  Ta0  1  -0.0  0.68  0.75  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.51  1.0
  Ta  Ta3  1  0.19  0.84  0.26  1.0
  Tl  Tl4  1  -0.0  0.8  0.26  1.0
  Tl  Tl5  1  0.19  0.0  0.0  1.0
  Tl  Tl6  1  0.19  0.0  0.51  1.0
  Tl  Tl7  1  0.19  0.72  0.75  1.0
  Tl  Tl8  1  0.37  0.62  0.26  1.0
  Tl  Tl9  1  0.41  0.76  -0.0  1.0
  Tl  Tl10  1  0.41  0.76  0.51  1.0
  Tl  Tl11  1  0.55  0.9  0.75  1.0
  Tl  Tl12  1  0.59  0.76  -0.0  1.0
  Tl  Tl13  1  0.59  0.76  0.51  1.0
  Tl  Tl14  1  0.63  0.62  0.26  1.0
  Tl  Tl15  1  0.82  0.9  0.75  1.0

Ta Ta Ta Ta Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl
Ta Ta Ta Ta Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl 0 7 o o o 1 8 o o o 2 13 o o o 3 14 o o o 4 6 o o o 5 9 o o o 10 12 o o o 11 15 o o o 