data_[K4Th8P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [17.5767]
_cell_length_b [6.8709]
_cell_length_c [8.1093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTh2(PO4)3]
_chemical_formula_sum '[K4 Th8 P12 O48]'
_cell_volume [958.4539]
_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
[
  K  K0  4  0.0000  0.4014  0.2500  1
  Th  Th1  8  0.1537  0.0916  0.0351  1
  P  P2  8  0.1880  0.4131  0.6835  1
  P  P3  4  0.0000  0.1030  0.7500  1
  O  O4  8  0.0240  0.2246  0.9119  1
  O  O5  8  0.0723  0.0289  0.2496  1
  O  O6  8  0.1396  0.4009  0.1605  1
  O  O7  8  0.1507  0.2508  0.5663  1
  O  O8  8  0.2015  0.3480  0.8726  1
  O  O9  8  0.2260  0.0472  0.3315  1
]