data_[K6Ba4Np2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6140]
_cell_length_b [11.5126]
_cell_length_c [6.6550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ba2NpO6]
_chemical_formula_sum '[K6 Ba4 Np2 O12]'
_cell_volume [477.7988]
_cell_formula_units_Z [2]
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  0.1552  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Ba  Ba2  4  0.0000  0.3324  0.0000  1
  Np  Np3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2018  0.1366  0.1967  1
  O  O5  4  0.2115  0.0000  0.8087  1
]