data_TlCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   3.5
_cell_angle_alpha   106.1
_cell_angle_beta   106.1
_cell_angle_gamma   124.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2B
_chemical_formula_sum   'Tl1 Cd2 B1'
_cell_volume   87.54
_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  0.86  0.0  0.0  1.0
  Cd  Cd1  1  0.43  0.73  0.0  1.0
  Cd  Cd2  1  0.43  0.27  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TlCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.58
_cell_length_c   6.16
_cell_angle_alpha   111.47
_cell_angle_beta   106.1
_cell_angle_gamma   91.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2B
_chemical_formula_sum   'Tl1 Cd2 B1'
_cell_volume   87.54
_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  0.86  1.0
  Cd  Cd1  1  0.27  0.27  0.7  1.0
  Cd  Cd2  1  0.73  0.73  0.16  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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