data_TlBPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   152.41
_cell_angle_beta   152.41
_cell_angle_gamma   39.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBPd
_chemical_formula_sum   'Tl1 B1 Pd1'
_cell_volume   56.66
_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  0.0  0.1  1.0
  B  B0  1  0.0  0.0  0.08  1.0
  Pd  Pd1  1  0.0  0.0  1.0  1.0

data_TlBPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlBPd
_chemical_formula_sum   'Tl2 B2 Pd2'
_cell_volume   113.32
_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  0.1  0.0  0.1  1.0
  B  B1  2  0.08  0.0  0.08  1.0
  Pd  Pd2  2  0.5  0.5  1.0  1.0

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