data_[Hf14Tl4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7388]
_cell_length_b [8.9880]
_cell_length_c [6.0667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7(TlH)2]
_chemical_formula_sum '[Hf14 Tl4 H4]'
_cell_volume [418.3965]
_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
[
  Hf  Hf0  8  0.1650  0.3295  0.1711  1
  Hf  Hf1  4  0.1664  0.5000  0.6720  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.1654  0.5000  1
  H  H4  4  0.2494  0.5000  0.0143  1
]