data_[Li4Ni12N4]
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/c]
_cell_length_a [6.8744]
_cell_length_b [4.5749]
_cell_length_c [6.8480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNi3N]
_chemical_formula_sum '[Li4 Ni12 N4]'
_cell_volume [210.6407]
_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  4  0.3135  0.0925  0.4429  1.0
  Ni  Ni1  4  0.0512  0.0966  0.6932  1.0
  Ni  Ni2  4  0.1934  0.5964  0.5650  1.0
  Ni  Ni3  4  0.4407  0.5727  0.3195  1.0
  N  N4  4  0.1963  0.7167  0.3059  1.0
]