data_TlSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   156.93
_cell_angle_beta   155.79
_cell_angle_gamma   33.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2B
_chemical_formula_sum   'Tl1 Sn2 B1'
_cell_volume   97.13
_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  0.77  0.02  1.0
  Sn  Sn1  1  0.0  0.77  0.53  1.0
  Sn  Sn2  1  0.0  0.0  0.94  1.0
  B  B0  1  0.0  0.0  0.79  1.0

data_TlSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.55
_cell_length_c   8.46
_cell_angle_alpha   102.1
_cell_angle_beta   101.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2B
_chemical_formula_sum   'Tl1 Sn2 B1'
_cell_volume   97.13
_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  0.23  0.25  0.25  1.0
  Sn  Sn1  1  0.0  0.94  0.94  1.0
  Sn  Sn2  1  0.23  0.76  0.76  1.0
  B  B3  1  0.0  0.79  0.79  1.0

Tl Sn Sn B