data_[Tc2Pb2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1345]
_cell_length_b [3.0886]
_cell_length_c [3.1392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcPbW]
_chemical_formula_sum '[Tc2 Pb2 W2]'
_cell_volume [117.6333]
_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  0.1876  0.5000  0.6750  1
  Pb  Pb1  2  0.0119  0.0000  0.1459  1
  W  W2  2  0.3006  0.0000  0.1790  1
]