data_[Tc4B6W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2488]
_cell_length_b [3.0982]
_cell_length_c [5.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc2B3W2]
_chemical_formula_sum '[Tc4 B6 W4]'
_cell_volume [158.2895]
_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  4  0.1478  0.0000  0.2646  1
  B  B1  4  0.0649  0.5000  0.4423  1
  B  B2  2  0.0000  0.5000  0.0000  1
  W  W3  4  0.1439  0.0000  0.7790  1
]