data_[Tc4Au8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7685]
_cell_length_b [2.8045]
_cell_length_c [7.0313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcAu2]
_chemical_formula_sum '[Tc4 Au8]'
_cell_volume [202.8238]
_cell_formula_units_Z [4]
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  4  0.2068  0.5000  0.6193  1
  Au  Au1  4  0.0149  0.0000  0.3089  1
  Au  Au2  4  0.1445  0.5000  0.0420  1
]