data_[Ba1Np1Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6111]
_cell_length_b [8.0551]
_cell_length_c [9.8395]
_cell_angle_alpha [109.4345]
_cell_angle_beta [90.0758]
_cell_angle_gamma [100.0297]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNp(AgI4)2]
_chemical_formula_sum '[Ba1 Np1 Ag2 I8]'
_cell_volume [559.0398]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.4687  0.6531  0.6764  1
  I  I3  2  0.1063  0.7477  0.7143  1
  I  I4  2  0.1253  0.7753  0.1566  1
  I  I5  2  0.3617  0.2322  0.0446  1
  I  I6  2  0.4216  0.2649  0.5721  1
]