data_TlInB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.37
_cell_length_c   3.4
_cell_angle_alpha   79.34
_cell_angle_beta   70.51
_cell_angle_gamma   30.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInB
_chemical_formula_sum   'Tl1 In1 B1'
_cell_volume   66.46
_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  0.0  0.74  0.31  1.0
  In  In1  1  0.0  0.74  0.55  1.0
  B  B0  1  0.0  0.74  0.24  1.0

data_TlInB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   12.1
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   126.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlInB
_chemical_formula_sum   'Tl2 In2 B2'
_cell_volume   132.92
_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  2  0.44  0.5  0.69  1.0
  In  In1  2  0.2  0.5  0.45  1.0
  B  B2  2  0.02  0.0  0.76  1.0

Tl In B