data_[Tc8Ir2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7322]
_cell_length_b [6.1320]
_cell_length_c [6.6927]
_cell_angle_alpha [111.6044]
_cell_angle_beta [90.0482]
_cell_angle_gamma [105.0144]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tc4IrRu]
_chemical_formula_sum '[Tc8 Ir2 Ru2]'
_cell_volume [173.3972]
_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  0.0426  0.8742  0.7899  1
  Tc  Tc1  2  0.1199  0.6284  0.3793  1
  Tc  Tc2  2  0.3788  0.8744  0.1254  1
  Tc  Tc3  2  0.4613  0.6248  0.7051  1
  Ir  Ir4  2  0.2068  0.3719  0.9583  1
  Ru  Ru5  2  0.2942  0.1239  0.5396  1
]