data_[Li4Y2Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  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 [5.3844]
_cell_length_b [9.3291]
_cell_length_c [5.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Y(TaN2)3]
_chemical_formula_sum '[Li4 Y2 Ta6 N12]'
_cell_volume [270.1212]
_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  0.3342  0.0000  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  4  0.0000  0.1711  0.5000  1.0
  Ta  Ta3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2391  0.3319  0.7222  1.0
  N  N5  4  0.2413  0.0000  0.7188  1.0
]