data_[Tc4Te2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5977]
_cell_length_b [3.0808]
_cell_length_c [4.5922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tc2TeW]
_chemical_formula_sum '[Tc4 Te2 W2]'
_cell_volume [134.1583]
_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  2  0.2609  0.0000  0.7631  1
  Tc  Tc1  2  0.4989  0.5000  0.0144  1
  Te  Te2  2  0.0008  0.5000  0.5149  1
  W  W3  2  0.2393  0.5000  0.2076  1
]