data_[Ba4Th4P8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.9929]
_cell_length_b [5.4808]
_cell_length_c [9.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTh(PO4)2]
_chemical_formula_sum '[Ba4 Th4 P8 O32]'
_cell_volume [670.5935]
_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
[
  Ba  Ba0  4  0.2500  0.2500  0.5000  1
  Th  Th1  4  0.0000  0.1762  0.7500  1
  P  P2  8  0.0916  0.2648  0.1098  1
  O  O3  8  0.0261  0.1894  0.4106  1
  O  O4  8  0.1105  0.4815  0.6812  1
  O  O5  8  0.1270  0.2750  0.9649  1
  O  O6  8  0.1529  0.0589  0.2048  1
]