data_[Li3Np3Ta12N24]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4080]
_cell_length_b [6.4080]
_cell_length_c [14.8931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiNp(TaN2)4]
_chemical_formula_sum '[Li3 Np3 Ta12 N24]'
_cell_volume [529.6232]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9988  1
  Np  Np1  3  0.0000  0.0000  0.4053  1
  Ta  Ta2  9  0.1738  0.8262  0.8325  1
  Ta  Ta3  3  0.0000  0.0000  0.6237  1
  N  N4  9  0.0140  0.5070  0.2341  1
  N  N5  9  0.0493  0.5247  0.7559  1
  N  N6  3  0.0000  0.0000  0.2462  1
  N  N7  3  0.0000  0.0000  0.7586  1
]