data_[Th4P8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pa-3]
_cell_length_a [8.9571]
_cell_length_b [8.9571]
_cell_length_c [8.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [ThP2O7]
_chemical_formula_sum '[Th4 P8 O28]'
_cell_volume [718.6208]
_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
[
  Th  Th0  4  0.0000  0.0000  0.0000  1
  P  P1  8  0.1016  0.6016  0.8984  1
  O  O2  24  0.0502  0.7387  0.4221  1
  O  O3  4  0.0000  0.0000  0.5000  1
]