data_TlSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2B
_chemical_formula_sum   'Tl1 Si2 B1'
_cell_volume   72.2
_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  0.46  0.0  0.0  1.0
  Si  Si1  1  0.23  0.66  0.38  1.0
  Si  Si2  1  0.23  0.34  0.38  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TlSi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.91
_cell_length_c   5.86
_cell_angle_alpha   114.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2B
_chemical_formula_sum   'Tl1 Si2 B1'
_cell_volume   72.2
_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  -0.0  0.0  0.46  1.0
  Si  Si1  1  0.38  0.34  0.57  1.0
  Si  Si2  1  0.38  0.66  0.89  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Tl Si Si B
Tl Si Si B 0 1 o - o 1 2 o o o 2 3 o o o 