data_[K6Th3Re9O36]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4134]
_cell_length_b [7.4134]
_cell_length_c [18.8351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Th(ReO4)3]
_chemical_formula_sum '[K6 Th3 Re9 O36]'
_cell_volume [896.4565]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3548  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Re  Re2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0288  0.5144  0.6012  1
  O  O4  18  0.0889  0.5444  0.8401  1
]