data_[Tl2In2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4827]
_cell_length_b [3.4978]
_cell_length_c [14.4616]
_cell_angle_alpha [84.4150]
_cell_angle_beta [84.1557]
_cell_angle_gamma [60.5339]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlInH]
_chemical_formula_sum '[Tl2 In2 H2]'
_cell_volume [152.3551]
_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  1  0.7625  0.4998  0.0049  1.0
  Tl  Tl1  1  0.9509  0.7020  0.5622  1.0
  In  In2  1  0.0421  0.8051  0.1949  1.0
  In  In3  1  0.6756  0.3918  0.3725  1.0
  H  H4  1  0.2505  0.0198  0.8090  1.0
  H  H5  1  0.2708  0.0189  0.7569  1.0
]