data_Tl2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.0
_cell_angle_alpha   103.33
_cell_angle_beta   103.33
_cell_angle_gamma   113.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InB
_chemical_formula_sum   'Tl2 In1 B1'
_cell_volume   101.5
_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  0.67  0.69  0.82  1.0
  Tl  Tl3  1  0.67  0.31  0.82  1.0
  In  In1  1  0.03  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Tl2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   113.46
_cell_angle_beta   103.33
_cell_angle_gamma   103.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InB
_chemical_formula_sum   'Tl2 In1 B1'
_cell_volume   101.5
_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  0.82  0.67  0.31  1.0
  Tl  Tl1  1  0.82  0.67  0.69  1.0
  In  In2  1  -0.0  0.03  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Tl Tl In B