data_[Tc6Os3W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3719]
_cell_length_b [4.3719]
_cell_length_c [11.2737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tc2OsW]
_chemical_formula_sum '[Tc6 Os3 W3]'
_cell_volume [186.6092]
_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  0.0276  1
  Tc  Tc1  3  0.0000  0.0000  0.2503  1
  Os  Os2  3  0.0000  0.0000  0.7239  1
  W  W3  3  0.0000  0.0000  0.4982  1
]