data_[Li2Y24Al8N6]
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
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.7650]
_cell_length_b [9.7650]
_cell_length_c [9.7650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [LiY12Al4N3]
_chemical_formula_sum '[Li2 Y24 Al8 N6]'
_cell_volume [931.1514]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  12  0.0000  0.0000  0.2649  1
  Y  Y2  12  0.0000  0.2500  0.5000  1
  Al  Al3  8  0.2500  0.2500  0.2500  1
  N  N4  6  0.0000  0.0000  0.5000  1
]