data_[Np8Ti4Mn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1481]
_cell_length_b [12.6618]
_cell_length_c [9.9355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np2TiMnN5]
_chemical_formula_sum '[Np8 Ti4 Mn4 N20]'
_cell_volume [396.0347]
_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  0.0000  0.1041  0.6804  1
  Np  Np1  4  0.0000  0.1477  0.3040  1
  Ti  Ti2  4  0.0000  0.2039  0.0085  1
  Mn  Mn3  4  0.0000  0.4738  0.4590  1
  N  N4  4  0.0000  0.0529  0.0659  1
  N  N5  4  0.0000  0.2786  0.6587  1
  N  N6  4  0.0000  0.3231  0.3723  1
  N  N7  4  0.0000  0.3696  0.9974  1
  N  N8  4  0.0000  0.4861  0.7777  1
]