data_[Th12Np3O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9435]
_cell_length_b [3.9435]
_cell_length_c [48.3928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th4NpO10]
_chemical_formula_sum '[Th12 Np3 O30]'
_cell_volume [651.7290]
_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
[
  Th  Th0  6  0.0000  0.0000  0.2004  1
  Th  Th1  6  0.0000  0.0000  0.3986  1
  Np  Np2  3  0.0000  0.0000  0.0000  1
  O  O3  6  0.0000  0.0000  0.0484  1
  O  O4  6  0.0000  0.0000  0.1499  1
  O  O5  6  0.0000  0.0000  0.2511  1
  O  O6  6  0.0000  0.0000  0.3486  1
  O  O7  6  0.0000  0.0000  0.4493  1
]