data_[Tc3Ru3W3]
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 [P3_212]
_cell_length_a [4.8022]
_cell_length_b [4.8022]
_cell_length_c [6.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [153]
_chemical_formula_structural [TcRuW]
_chemical_formula_sum '[Tc3 Ru3 W3]'
_cell_volume [134.6431]
_cell_formula_units_Z [3]
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  3  0.2149  0.7851  0.1667  1
  Ru  Ru1  3  0.2279  0.1139  0.5000  1
  W  W2  3  0.5440  0.0880  0.8333  1
]