data_[Sr18Np6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0683]
_cell_length_b [10.0683]
_cell_length_c [11.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr3NpO6]
_chemical_formula_sum '[Sr18 Np6 O36]'
_cell_volume [1038.5947]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  18  0.0379  0.7702  0.7100  1
  Np  Np1  3  0.0000  0.0000  0.0000  1
  Np  Np2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0258  0.8496  0.3921  1
  O  O4  18  0.0288  0.8380  0.9072  1
]