data_[Np2Cu5O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7660]
_cell_length_b [5.7979]
_cell_length_c [8.3022]
_cell_angle_alpha [105.8139]
_cell_angle_beta [102.2558]
_cell_angle_gamma [104.9759]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Np2Cu5O12]
_chemical_formula_sum '[Np2 Cu5 O12]'
_cell_volume [245.7535]
_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
[
  Np  Np0  2  0.2555  0.2393  0.9960  1
  Cu  Cu1  2  0.0383  0.5438  0.6815  1
  Cu  Cu2  2  0.4725  0.9460  0.3096  1
  Cu  Cu3  1  0.5000  0.5000  0.5000  1
  O  O4  2  0.0177  0.8193  0.8761  1
  O  O5  2  0.0443  0.3094  0.8218  1
  O  O6  2  0.1590  0.3759  0.4997  1
  O  O7  2  0.4444  0.7872  0.4766  1
  O  O8  2  0.4573  0.6602  0.1227  1
  O  O9  2  0.4808  0.1675  0.1711  1
]