data_[Tc4Ge4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3191]
_cell_length_b [2.7559]
_cell_length_c [9.6998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcGeAu]
_chemical_formula_sum '[Tc4 Ge4 Au4]'
_cell_volume [257.9507]
_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  2  0.1917  0.5000  0.2260  1
  Tc  Tc1  2  0.3688  0.0000  0.4343  1
  Ge  Ge2  2  0.0275  0.5000  0.6929  1
  Ge  Ge3  2  0.0907  0.5000  0.9652  1
  Au  Au4  2  0.1765  0.5000  0.5261  1
  Au  Au5  2  0.4631  0.5000  0.2334  1
]