data_[Li16Sm4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.7698]
_cell_length_b [3.7698]
_cell_length_c [25.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Li4SmN2]
_chemical_formula_sum '[Li16 Sm4 N8]'
_cell_volume [363.8042]
_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  8  0.0000  0.0000  0.1049  1
  Li  Li1  8  0.0000  0.0000  0.4279  1
  Sm  Sm2  4  0.0000  0.0000  0.0000  1
  N  N3  8  0.0000  0.0000  0.1909  1
]