data_[Sr4Np4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2649]
_cell_length_b [5.9516]
_cell_length_c [5.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNpN3]
_chemical_formula_sum '[Sr4 Np4 N12]'
_cell_volume [301.8750]
_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
[
  Sr  Sr0  4  0.2485  0.0000  0.7441  1
  Np  Np1  2  0.0000  0.0000  0.0000  1
  Np  Np2  2  0.0000  0.5000  0.5000  1
  N  N3  8  0.0271  0.2626  0.2912  1
  N  N4  4  0.2239  0.0000  0.1730  1
]