data_Ta3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Tl
_chemical_formula_sum   'Ta6 Tl2'
_cell_volume   155.57
_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
  Ta  Ta0  1  0.62  0.45  0.64  1.0
  Ta  Ta1  1  0.38  0.45  0.64  1.0
  Ta  Ta2  1  0.0  0.65  0.64  1.0
  Ta  Ta3  1  0.43  0.82  0.21  1.0
  Ta  Ta4  1  0.66  0.82  0.21  1.0
  Ta  Ta5  1  0.04  0.62  0.21  1.0
  Tl  Tl6  1  0.04  0.76  0.64  1.0
  Tl  Tl7  1  0.0  0.51  0.21  1.0

data_Ta3Tl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.85
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3Tl
_chemical_formula_sum   'Ta6 Tl2'
_cell_volume   155.57
_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
  Ta  Ta0  2  0.21  0.36  0.31  1.0
  Ta  Ta1  2  0.21  0.6  0.31  1.0
  Ta  Ta2  2  0.21  0.98  0.51  1.0
  Tl  Tl3  2  0.21  0.02  0.62  1.0

Ta Ta Ta Ta Ta Ta Tl Tl
Ta Ta Ta Ta Ta Ta Tl Tl 0 1 o o o 2 6 o o o 3 4 o o o 5 7 o o o 