data_[Li4Sc2Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  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 [5.3321]
_cell_length_b [9.2416]
_cell_length_c [5.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sc(TaN2)3]
_chemical_formula_sum '[Li4 Sc2 Ta6 N12]'
_cell_volume [254.3576]
_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  0.3344  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  4  0.0000  0.1707  0.5000  1.0
  Ta  Ta3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2462  0.3349  0.7337  1.0
  N  N5  4  0.2391  0.0000  0.7299  1.0
]