data_[Np4Mo6N10]
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 [11.3153]
_cell_length_b [3.1379]
_cell_length_c [8.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Mo3N5]
_chemical_formula_sum '[Np4 Mo6 N10]'
_cell_volume [235.3618]
_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
[
  Np  Np0  4  0.1687  0.5000  0.2636  1
  Mo  Mo1  4  0.1192  0.0000  0.8761  1
  Mo  Mo2  2  0.0000  0.5000  0.5000  1
  N  N3  4  0.0941  0.0000  0.4122  1
  N  N4  4  0.2051  0.5000  0.7967  1
  N  N5  2  0.0000  0.0000  0.0000  1
]