data_TlB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   2.85
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Pd
_chemical_formula_sum   'Tl1 B2 Pd1'
_cell_volume   68.69
_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  0.37  0.0  0.46  1.0
  B  B0  1  0.26  0.43  0.0  1.0
  B  B1  1  0.48  0.43  0.93  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TlB2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.89
_cell_length_c   4.93
_cell_angle_alpha   91.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Pd
_chemical_formula_sum   'Tl1 B2 Pd1'
_cell_volume   68.69
_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  0.63  0.54  1.0
  B  B1  1  0.57  0.52  0.07  1.0
  B  B2  1  0.57  0.74  1.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Tl B B Pd
Tl B B Pd 0 1 o - o 0 1 o - + 0 1 o o o 0 1 o o + 0 3 o o o 0 3 o o + 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 o + o 1 2 o o - 1 3 o + o 1 3 o o o 