data_[Li4Pa4Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9294]
_cell_length_b [10.2534]
_cell_length_c [5.2878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pa2TaN6]
_chemical_formula_sum '[Li4 Pa4 Ta2 N12]'
_cell_volume [307.2509]
_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  0.1352  0.0000  1
  Pa  Pa1  4  0.0000  0.3353  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  N  N3  8  0.2057  0.1616  0.7010  1
  N  N4  4  0.2478  0.0000  0.2914  1
]