data_[Sc1Pb1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9525]
_cell_length_b [4.9041]
_cell_length_c [5.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ScPbW2]
_chemical_formula_sum '[Sc1 Pb1 W2]'
_cell_volume [78.6471]
_cell_formula_units_Z [1]
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
[
  Sc  Sc0  1  0.0000  0.5000  0.5000  1
  Pb  Pb1  1  0.5000  0.5000  0.0000  1
  W  W2  2  0.3276  0.0000  0.2822  1
]