data_[Pa4Ta4S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3741]
_cell_length_b [7.4942]
_cell_length_c [7.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTaSO4]
_chemical_formula_sum '[Pa4 Ta4 S4 O16]'
_cell_volume [509.6359]
_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
[
  Ta  Ta0  4  0.1272  0.5000  0.2347  1
  Pa  Pa1  4  0.2123  0.0000  0.1544  1
  S  S2  4  0.0171  0.0000  0.7798  1
  O  O3  8  0.2102  0.2899  0.1852  1
  O  O4  4  0.0696  0.5000  0.8696  1
  O  O5  4  0.1745  0.5000  0.5165  1
]