data_[Np4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2609]
_cell_length_b [3.9621]
_cell_length_c [6.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpMoN3]
_chemical_formula_sum '[Np4 Mo4 N12]'
_cell_volume [251.7913]
_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  0.1098  0.5000  0.3206  1
  Mo  Mo1  4  0.1645  0.0000  0.8835  1
  N  N2  4  0.0358  0.0000  0.1191  1
  N  N3  4  0.1344  0.5000  0.9465  1
  N  N4  4  0.1747  0.0000  0.5733  1
]