data_[Re4Tc8Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7875]
_cell_length_b [7.0242]
_cell_length_c [8.4942]
_cell_angle_alpha [108.2620]
_cell_angle_beta [106.1857]
_cell_angle_gamma [90.0526]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Re2Tc4Ru3]
_chemical_formula_sum '[Re4 Tc8 Ru6]'
_cell_volume [259.2832]
_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  0.0558  0.4648  0.2738  1
  Tc  Tc1  2  0.1662  0.2572  0.5036  1
  Tc  Tc2  2  0.1679  0.0778  0.1622  1
  Re  Re3  2  0.2784  0.8681  0.3935  1
  Tc  Tc4  2  0.3876  0.8000  0.9407  1
  Re  Re5  2  0.4988  0.5904  0.1717  1
  Ru  Ru6  2  0.0572  0.3070  0.9446  1
  Ru  Ru7  2  0.2770  0.0270  0.7241  1
  Ru  Ru8  2  0.3916  0.6405  0.6109  1
]