data_[H4Pd4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7760]
_cell_length_b [3.0921]
_cell_length_c [9.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HPdW]
_chemical_formula_sum '[H4 Pd4 W4]'
_cell_volume [135.7170]
_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
[
  H  H0  4  0.0401  0.5000  0.7568  1
  Pd  Pd1  4  0.1560  0.0000  0.3739  1
  W  W2  4  0.2260  0.0000  0.8822  1
]