data_[Tc2Ru4W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0669]
_cell_length_b [2.7640]
_cell_length_c [4.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcRu2W]
_chemical_formula_sum '[Tc2 Ru4 W2]'
_cell_volume [117.5666]
_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  0.0034  0.5000  0.5203  1
  Ru  Ru1  2  0.2513  0.0000  0.7397  1
  Ru  Ru2  2  0.4959  0.5000  0.9991  1
  W  W3  2  0.2494  0.5000  0.2409  1
]