data_[Li2Ni6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0259]
_cell_length_b [4.6254]
_cell_length_c [5.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiNi3N]
_chemical_formula_sum '[Li2 Ni6 N2]'
_cell_volume [104.6932]
_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  0.1137  0.3526  0.1196  1.0
  Ni  Ni1  2  0.1083  0.1998  0.6014  1.0
  Ni  Ni2  2  0.3810  0.8349  0.3937  1.0
  Ni  Ni3  2  0.3925  0.6929  0.8862  1.0
  N  N4  2  0.4720  0.0352  0.7402  1.0
]