data_[La4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2787]
_cell_length_b [3.6757]
_cell_length_c [6.2974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaW]
_chemical_formula_sum '[La4 W4]'
_cell_volume [214.7774]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.1850  0.2500  0.1154  1
  W  W1  4  0.0328  0.2500  0.6227  1
]