data_[Tl4H8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.3108]
_cell_length_b [3.9348]
_cell_length_c [7.1948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TlH2N]
_chemical_formula_sum '[Tl4 H8 N4]'
_cell_volume [291.7140]
_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  0.0581  0.2375  0.7396  1
  H  H1  4  0.2505  0.3180  0.4394  1
  H  H2  4  0.2527  0.3322  0.0561  1
  N  N3  4  0.1897  0.4950  0.4951  1
]