data_[Tc2Au4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8782]
_cell_length_b [8.6903]
_cell_length_c [6.9467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc(AuI4)2]
_chemical_formula_sum '[Tc2 Au4 I16]'
_cell_volume [836.9748]
_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
[
  Tc  Tc0  2  0.0000  0.0000  0.0000  1
  Au  Au1  4  0.2017  0.0000  0.4444  1
  I  I2  8  0.0686  0.2194  0.2471  1
  I  I3  4  0.1445  0.5000  0.7627  1
  I  I4  4  0.1749  0.0000  0.8241  1
]