data_[Np4V12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.2938]
_cell_length_b [7.4103]
_cell_length_c [10.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NpV3O9]
_chemical_formula_sum '[Np4 V12 O36]'
_cell_volume [992.9536]
_cell_formula_units_Z [4]
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  4  0.2526  0.2476  0.0049  1
  V  V1  4  0.0048  0.4545  0.2564  1
  V  V2  4  0.1142  0.1033  0.1767  1
  V  V3  4  0.3864  0.4033  0.8295  1
  O  O4  4  0.0037  0.0067  0.0140  1
  O  O5  4  0.0704  0.3206  0.1955  1
  O  O6  4  0.1014  0.4039  0.9001  1
  O  O7  4  0.1592  0.0293  0.8346  1
  O  O8  4  0.2177  0.1312  0.1550  1
  O  O9  4  0.2824  0.6463  0.3604  1
  O  O10  4  0.3381  0.4500  0.1661  1
  O  O11  4  0.4004  0.0827  0.1082  1
  O  O12  4  0.4512  0.1903  0.8207  1
]