data_[Ca2Ac2Np2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2277]
_cell_length_b [4.2277]
_cell_length_c [12.8357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaAcNpN4]
_chemical_formula_sum '[Ca2 Ac2 Np2 N8]'
_cell_volume [229.4220]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.3536  1
  Ac  Ac1  2  0.0000  0.0000  0.6485  1
  Np  Np2  2  0.0000  0.0000  0.9966  1
  N  N3  4  0.0000  0.5000  0.4999  1
  N  N4  2  0.0000  0.0000  0.1617  1
  N  N5  2  0.0000  0.0000  0.8398  1
]