data_[Tl2H2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7107]
_cell_length_b [3.8192]
_cell_length_c [9.5511]
_cell_angle_alpha [93.3303]
_cell_angle_beta [92.4859]
_cell_angle_gamma [90.2875]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHC]
_chemical_formula_sum '[Tl2 H2 C2]'
_cell_volume [134.9974]
_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  2  0.2597  0.2697  0.1054  1
  H  H1  2  0.2587  0.2489  0.6002  1
  C  C2  2  0.4139  0.4109  0.5371  1
]