data_[Li4Sc8Ta4N16]
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 [Fmm2]
_cell_length_a [6.2135]
_cell_length_b [9.1161]
_cell_length_c [6.2174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiSc2TaN4]
_chemical_formula_sum '[Li4 Sc8 Ta4 N16]'
_cell_volume [352.1702]
_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
[
  Li  Li0  4  0.0000  0.0000  0.4379  1.0
  Sc  Sc1  8  0.2500  0.2500  0.1867  1.0
  Ta  Ta2  4  0.0000  0.0000  0.9114  1.0
  N  N3  8  0.0000  0.2277  0.9394  1.0
  N  N4  8  0.2436  0.0000  0.6979  1.0
]