data_[Ba1Np1Ag2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9810]
_cell_length_b [7.5153]
_cell_length_c [9.3878]
_cell_angle_alpha [71.0907]
_cell_angle_beta [89.8312]
_cell_angle_gamma [79.6484]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNp(AgBr4)2]
_chemical_formula_sum '[Ba1 Np1 Ag2 Br8]'
_cell_volume [457.5469]
_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  0.4931  0.3358  0.6882  1
  Br  Br3  2  0.1036  0.2446  0.7221  1
  Br  Br4  2  0.1298  0.2117  0.1597  1
  Br  Br5  2  0.3620  0.7655  0.0317  1
  Br  Br6  2  0.4286  0.7341  0.5686  1
]