data_[Hf16Tl4Tc2]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0230]
_cell_length_b [6.6479]
_cell_length_c [14.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf8Tl2Tc]
_chemical_formula_sum '[Hf16 Tl4 Tc2]'
_cell_volume [480.4812]
_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  0.0000  0.2375  0.6322  1
  Hf  Hf1  4  0.0000  0.0000  0.1745  1
  Hf  Hf2  4  0.0000  0.2536  0.0000  1
  Tl  Tl3  4  0.0000  0.5000  0.1882  1
  Tc  Tc4  2  0.0000  0.5000  0.5000  1
]