data_Tl2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.0
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnB
_chemical_formula_sum   'Tl2 Sn1 B1'
_cell_volume   104.12
_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  Tl2  1  0.5  1.0  0.77  1.0
  Tl  Tl3  1  0.09  1.0  0.7  1.0
  Sn  Sn1  1  0.38  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Tl2SnB
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.76
_cell_length_b   4.0
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2SnB
_chemical_formula_sum   'Tl2 Sn1 B1'
_cell_volume   104.12
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.09  0.0  0.7  1.0
  Tl  Tl1  1  0.5  0.0  0.77  1.0
  Sn  Sn2  1  0.38  0.0  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Tl Tl Sn B