data_[Tc3Pt3W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7783]
_cell_length_b [2.7783]
_cell_length_c [28.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TcPtW2]
_chemical_formula_sum '[Tc3 Pt3 W6]'
_cell_volume [188.4837]
_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  0.0000  0.0000  0.2499  1
  Pt  Pt1  3  0.0000  0.0000  0.5005  1
  W  W2  3  0.0000  0.0000  0.7519  1
  W  W3  3  0.0000  0.0000  0.9977  1
]