data_[Na16Th8P16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1036]
_cell_length_b [22.0778]
_cell_length_c [9.3208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Th(PO4)2]
_chemical_formula_sum '[Na16 Th8 P16 O64]'
_cell_volume [1357.5517]
_cell_formula_units_Z [8]
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
[
  Na  Na0  8  0.1064  0.1899  0.4646  1
  Na  Na1  8  0.1285  0.5629  0.0055  1
  Th  Th2  4  0.0000  0.0711  0.7500  1
  Th  Th3  4  0.0000  0.2961  0.7500  1
  P  P4  8  0.1821  0.3105  0.1451  1
  P  P5  8  0.1830  0.0659  0.1188  1
  O  O6  8  0.0223  0.3113  0.4959  1
  O  O7  8  0.0374  0.0824  0.4880  1
  O  O8  8  0.1388  0.1967  0.9132  1
  O  O9  8  0.1939  0.0124  0.2284  1
  O  O10  8  0.1976  0.2535  0.2483  1
  O  O11  8  0.2099  0.4505  0.9944  1
  O  O12  8  0.2113  0.3691  0.2402  1
  O  O13  8  0.2191  0.6216  0.2781  1
]