data_[Tc2Ru2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.5877]
_cell_length_b [3.0073]
_cell_length_c [8.9299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcRuCl2]
_chemical_formula_sum '[Tc2 Ru2 Cl4]'
_cell_volume [169.9739]
_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  0.3201  0.0000  0.7051  1
  Ru  Ru1  2  0.0167  0.5000  0.5365  1
  Cl  Cl2  2  0.2579  0.5000  0.3366  1
  Cl  Cl3  2  0.4053  0.5000  0.9219  1
]