data_[Zr8P8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.5636]
_cell_length_b [8.9675]
_cell_length_c [9.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Zr2P2SO12]
_chemical_formula_sum '[Zr8 P8 S4 O48]'
_cell_volume [1076.0111]
_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
[
  Zr  Zr0  4  0.1031  0.2613  0.0685  1
  Zr  Zr1  4  0.3919  0.2520  0.9312  1
  P  P2  4  0.3567  0.3927  0.2503  1
  P  P3  4  0.4979  0.0373  0.7489  1
  S  S4  4  0.1436  0.1046  0.7501  1
  O  O5  4  0.0530  0.1738  0.5946  1
  O  O6  4  0.0682  0.4389  0.9103  1
  O  O7  4  0.0693  0.3626  0.2238  1
  O  O8  4  0.1427  0.1304  0.9054  1
  O  O9  4  0.1459  0.0567  0.2229  1
  O  O10  4  0.2378  0.1724  0.7738  1
  O  O11  4  0.2572  0.3228  0.2191  1
  O  O12  4  0.3559  0.4384  0.7804  1
  O  O13  4  0.3596  0.3647  0.0892  1
  O  O14  4  0.4309  0.1382  0.7813  1
  O  O15  4  0.4323  0.0622  0.0888  1
  O  O16  4  0.4541  0.3242  0.4113  1
]