data_[Pa6Si16W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2072]
_cell_length_b [8.3270]
_cell_length_c [13.9421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pa3Si8W3]
_chemical_formula_sum '[Pa6 Si16 W6]'
_cell_volume [488.4432]
_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
[
  Pa  Pa0  4  0.0000  0.0000  0.2166  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Si  Si2  8  0.0000  0.2848  0.3703  1
  Si  Si3  8  0.0000  0.3599  0.1476  1
  W  W4  4  0.0000  0.1904  0.0000  1
  W  W5  2  0.0000  0.5000  0.5000  1
]