data_[Li6Np4Mn2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4371]
_cell_length_b [10.3143]
_cell_length_c [5.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Np2MnN6]
_chemical_formula_sum '[Li6 Np4 Mn2 N12]'
_cell_volume [282.2655]
_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
[
  Li  Li0  4  0.0000  0.1376  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Np  Np2  4  0.0000  0.3371  0.0000  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2412  0.1630  0.2130  1
  N  N5  4  0.2376  0.5000  0.2126  1
]