data_[Co16Tc16W16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.7449]
_cell_length_b [8.1832]
_cell_length_c [17.0375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [CoTcW]
_chemical_formula_sum '[Co16 Tc16 W16]'
_cell_volume [661.5435]
_cell_formula_units_Z [16]
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
[
  Co  Co0  16  0.0000  0.0000  0.1254  1
  Tc  Tc1  16  0.0000  0.1672  0.0000  1
  W  W2  16  0.0000  0.0000  0.4225  1
]