data_TlSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn3
_chemical_formula_sum   'Tl1 Sn3'
_cell_volume   113.81
_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  0.4  0.0  0.0  1.0
  Sn  Sn0  1  0.7  0.53  0.69  1.0
  Sn  Sn1  1  0.7  0.47  0.69  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_TlSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   111.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn3
_chemical_formula_sum   'Tl1 Sn3'
_cell_volume   113.81
_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  0.4  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.69  0.7  0.47  1.0
  Sn  Sn3  1  0.69  0.7  0.53  1.0

Tl Sn Sn Sn