data_[Tc4Os4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4083]
_cell_length_b [5.4467]
_cell_length_c [4.6910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcOsRu2]
_chemical_formula_sum '[Tc4 Os4 Ru8]'
_cell_volume [227.0318]
_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  0.1261  0.0000  0.7546  1
  Ru  Ru1  8  0.1246  0.2513  0.2505  1
  Os  Os2  4  0.1254  0.5000  0.7492  1
]