data_[Hf16Tc2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7694]
_cell_length_b [4.9521]
_cell_length_c [5.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8TcBi2]
_chemical_formula_sum '[Hf16 Tc2 Bi4]'
_cell_volume [485.3085]
_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  4  0.0383  0.0000  0.2594  1
  Hf  Hf1  4  0.0831  0.5000  0.5781  1
  Hf  Hf2  4  0.1501  0.5000  0.1150  1
  Hf  Hf3  4  0.2298  0.0000  0.3434  1
  Tc  Tc4  2  0.0000  0.5000  0.0000  1
  Bi  Bi5  4  0.1628  0.0000  0.8134  1
]