data_[Ba2Np2P4O16]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9505]
_cell_length_b [5.4106]
_cell_length_c [8.1756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNp(PO4)2]
_chemical_formula_sum '[Ba2 Np2 P4 O16]'
_cell_volume [350.3665]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  P  P2  4  0.1026  0.5000  0.2689  1
  O  O3  8  0.0084  0.2644  0.7177  1
  O  O4  4  0.1809  0.5000  0.1064  1
  O  O5  4  0.2232  0.5000  0.4298  1
]