data_[Sr16Li2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9314]
_cell_length_b [8.0665]
_cell_length_c [8.7549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8LiN2]
_chemical_formula_sum '[Sr16 Li2 N4]'
_cell_volume [987.1281]
_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
[
  Sr  Sr0  8  0.1266  0.2294  0.7522  1.0
  Sr  Sr1  4  0.1306  0.5000  0.2040  1.0
  Sr  Sr2  4  0.1669  0.0000  0.3916  1.0
  Li  Li3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.2010  0.0000  0.6754  1.0
]