data_[Li12Np9Bi3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.1284]
_cell_length_b [11.1284]
_cell_length_c [7.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Li4Np3BiO12]
_chemical_formula_sum '[Li12 Np9 Bi3 O36]'
_cell_volume [846.7758]
_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
[
  Li  Li0  9  0.0000  0.4393  0.5000  1
  Li  Li1  3  0.0000  0.0000  0.5000  1
  Np  Np2  9  0.0000  0.5552  0.0000  1
  Bi  Bi3  3  0.0000  0.0000  0.0000  1
  O  O4  18  0.0553  0.2094  0.1791  1
  O  O5  9  0.0000  0.6081  0.5000  1
  O  O6  9  0.0000  0.8353  0.5000  1
]