data_[Tl4B4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1269]
_cell_length_b [6.0288]
_cell_length_c [6.2851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlBNO]
_chemical_formula_sum '[Tl4 B4 N4 O4]'
_cell_volume [224.0818]
_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  4  0.0000  0.2755  0.5000  1
  B  B1  4  0.1373  0.5000  0.1110  1
  N  N2  4  0.1825  0.0000  0.7007  1
  O  O3  4  0.0000  0.3198  0.0000  1
]