data_[Tl4Cd4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2044]
_cell_length_b [3.9467]
_cell_length_c [20.0966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TlCdB]
_chemical_formula_sum '[Tl4 Cd4 B4]'
_cell_volume [254.1639]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.1076  1
  Tl  Tl1  2  0.5000  0.0000  0.4762  1
  Cd  Cd2  2  0.0000  0.0000  0.8720  1
  Cd  Cd3  2  0.5000  0.0000  0.2827  1
  B  B4  4  0.2603  0.0000  0.7095  1
]