data_TlB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   155.46
_cell_angle_beta   149.48
_cell_angle_gamma   39.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Sb
_chemical_formula_sum   'Tl1 B2 Sb1'
_cell_volume   75.95
_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  0.87  0.73  1.0
  B  B0  1  0.0  0.0  0.76  1.0
  B  B1  1  0.51  0.0  0.37  1.0
  Sb  Sb2  1  0.0  0.0  0.53  1.0

data_TlB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.75
_cell_length_c   7.12
_cell_angle_alpha   105.26
_cell_angle_beta   102.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Sb
_chemical_formula_sum   'Tl1 B2 Sb1'
_cell_volume   75.95
_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  0.27  0.14  0.14  1.0
  B  B1  1  0.14  0.63  0.14  1.0
  B  B2  1  0.24  0.24  0.24  1.0
  Sb  Sb3  1  0.47  0.47  0.47  1.0

Tl B B Sb