data_[Pa12Si28W4]
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 [Cmcm]
_cell_length_a [4.0320]
_cell_length_b [18.8690]
_cell_length_c [10.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa3Si7W]
_chemical_formula_sum '[Pa12 Si28 W4]'
_cell_volume [803.7255]
_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
[
  Pa  Pa0  8  0.0000  0.1106  0.0556  1
  Pa  Pa1  4  0.0000  0.2284  0.7500  1
  Si  Si2  8  0.0000  0.2707  0.0375  1
  Si  Si3  8  0.0000  0.3772  0.1410  1
  Si  Si4  8  0.0000  0.4966  0.6199  1
  Si  Si5  4  0.0000  0.3804  0.7500  1
  W  W6  4  0.0000  0.0539  0.7500  1
]