data_[Ac12Np6Re6N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Np  1.3600  1.7500  1.0000
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8886]
_cell_length_b [5.8886]
_cell_length_c [29.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2NpReN6]
_chemical_formula_sum '[Ac12 Np6 Re6 N36]'
_cell_volume [889.7606]
_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
[
  Ac  Ac0  6  0.0000  0.0000  0.1349  1
  Ac  Ac1  6  0.0000  0.0000  0.2854  1
  Np  Np2  6  0.0000  0.0000  0.4101  1
  Re  Re3  3  -0.0000  -0.0000  0.5000  1
  Re  Re4  3  0.0000  0.0000  0.0000  1
  N  N5  18  0.0084  0.5042  0.1255  1
  N  N6  18  0.0085  0.5043  0.7048  1
]