data_[Tc2Ir4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2360]
_cell_length_b [2.7911]
_cell_length_c [4.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcIr2Au]
_chemical_formula_sum '[Tc2 Ir4 Au2]'
_cell_volume [122.4455]
_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  0.0073  0.5000  0.5226  1
  Ir  Ir1  2  0.2501  0.0000  0.7394  1
  Ir  Ir2  2  0.4931  0.5000  0.9912  1
  Au  Au3  2  0.2495  0.5000  0.2467  1
]