data_[Tl4H10N2]
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 [Cm]
_cell_length_a [6.3726]
_cell_length_b [7.9648]
_cell_length_c [5.7485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2H5N]
_chemical_formula_sum '[Tl4 H10 N2]'
_cell_volume [290.6320]
_cell_formula_units_Z [2]
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  0.1067  0.2686  0.5620  1
  H  H1  4  0.4315  0.3948  0.9783  1
  H  H2  2  0.0866  0.0000  0.4984  1
  H  H3  2  0.2366  0.5000  0.0974  1
  H  H4  2  0.4821  0.5000  0.2449  1
  N  N5  2  0.3960  0.5000  0.0748  1
]