data_[K2Ba2Np2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.7926]
_cell_length_b [6.7926]
_cell_length_c [9.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [KBaNpF6]
_chemical_formula_sum '[K2 Ba2 Np2 F12]'
_cell_volume [382.8243]
_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  2  0.0000  0.0000  0.0000  1
  Ba  Ba1  2  0.3333  0.6667  0.2500  1
  Np  Np2  2  0.3333  0.6667  0.7500  1
  F  F3  12  0.0365  0.3758  0.6301  1
]