data_[Ac1Pb1S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9159]
_cell_length_b [5.9159]
_cell_length_c [7.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [AcPb(SO4)2]
_chemical_formula_sum '[Ac1 Pb1 S2 O8]'
_cell_volume [236.0960]
_cell_formula_units_Z [1]
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
[
  Ac  Ac0  1  0.0000  0.0000  0.0000  1
  Pb  Pb1  1  0.0000  0.0000  0.5000  1
  S  S2  2  0.3333  0.6667  0.7441  1
  O  O3  6  0.1966  0.3932  0.8129  1
  O  O4  2  0.3333  0.6667  0.5561  1
]