data_LiCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   59.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2N3
_chemical_formula_sum   'Li2 Co4 N6'
_cell_volume   125.11
_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  1  0.71  0.93  0.84  1.0
  Li  Li1  1  0.71  0.07  0.37  1.0
  Co  Co2  1  0.56  0.88  0.89  1.0
  Co  Co3  1  0.85  0.88  0.89  1.0
  Co  Co4  1  0.85  0.12  0.42  1.0
  Co  Co5  1  0.56  0.12  0.42  1.0
  N  N6  1  0.81  0.79  0.75  1.0
  N  N7  1  0.6  0.79  0.75  1.0
  N  N8  1  0.6  0.21  0.22  1.0
  N  N9  1  0.81  0.21  0.22  1.0
  N  N10  1  0.71  0.14  0.05  1.0
  N  N11  1  0.71  0.86  0.52  1.0

data_LiCo2N3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   5.39
_cell_length_c   5.42
_cell_angle_alpha   119.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2N3
_chemical_formula_sum   'Li2 Co4 N6'
_cell_volume   125.11
_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  1  0.16  0.07  0.36  1.0
  Li  Li1  1  0.63  0.93  0.22  1.0
  Co  Co2  1  0.11  0.12  0.27  1.0
  Co  Co3  1  0.11  0.12  0.56  1.0
  Co  Co4  1  0.58  0.88  0.03  1.0
  Co  Co5  1  0.58  0.88  0.32  1.0
  N  N6  1  0.25  0.21  0.4  1.0
  N  N7  1  0.25  0.21  0.61  1.0
  N  N8  1  0.48  0.14  0.44  1.0
  N  N9  1  0.78  0.79  0.19  1.0
  N  N10  1  0.78  0.79  0.98  1.0
  N  N11  1  0.95  0.86  0.15  1.0

Li Li Co Co Co Co N N N N N N