data_Tl4Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Sn3
_chemical_formula_sum   'Tl4 Sn3'
_cell_volume   217.97
_cell_formula_units_Z   1
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  Tl3  1  0.0  0.0  0.93  1.0
  Tl  Tl4  1  0.0  0.0  0.58  1.0
  Tl  Tl5  1  0.0  0.59  0.0  1.0
  Tl  Tl6  1  0.11  0.79  0.0  1.0
  Sn  Sn0  1  0.55  0.69  0.26  1.0
  Sn  Sn1  1  0.11  0.0  0.26  1.0
  Sn  Sn2  1  0.45  0.69  0.26  1.0

data_Tl4Sn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Sn3
_chemical_formula_sum   'Tl4 Sn3'
_cell_volume   217.97
_cell_formula_units_Z   1
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  0.59  -0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.58  1.0
  Tl  Tl2  1  0.0  0.0  0.93  1.0
  Tl  Tl3  1  0.11  0.79  -0.0  1.0
  Sn  Sn4  1  0.11  0.0  0.26  1.0
  Sn  Sn5  1  0.45  0.69  0.26  1.0
  Sn  Sn6  1  0.55  0.69  0.26  1.0

Tl Tl Tl Tl Sn Sn Sn