data_Tl4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   95.49
_cell_angle_beta   95.49
_cell_angle_gamma   143.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Sn5
_chemical_formula_sum   'Tl4 Sn5'
_cell_volume   265.07
_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  Tl5  1  0.0  0.05  0.0  1.0
  Tl  Tl6  1  0.0  0.43  0.0  1.0
  Tl  Tl7  1  0.43  0.0  0.0  1.0
  Tl  Tl8  1  0.05  0.0  0.0  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.32  0.68  0.41  1.0
  Sn  Sn2  1  0.68  0.32  0.41  1.0
  Sn  Sn3  1  0.57  0.57  0.0  1.0
  Sn  Sn4  1  0.68  0.68  0.41  1.0

data_Tl4Sn5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   14.83
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   108.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4Sn5
_chemical_formula_sum   'Tl8 Sn10'
_cell_volume   530.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.28  0.28  0.0  1.0
  Tl  Tl1  4  0.48  0.48  0.0  1.0
  Sn  Sn2  4  0.0  0.32  0.59  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0
  Sn  Sn4  2  0.32  0.0  0.59  1.0
  Sn  Sn5  2  0.43  0.0  0.0  1.0

Tl Tl Tl Tl Sn Sn Sn Sn Sn