data_Li7Cu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   75.22
_cell_angle_beta   75.22
_cell_angle_gamma   75.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Cu2N3
_chemical_formula_sum   'Li7 Cu2 N3'
_cell_volume   131.72
_cell_formula_units_Z   1
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  0.93  0.85  0.58  1.0
  Li  Li1  1  0.93  0.15  0.58  1.0
  Li  Li2  1  0.14  0.0  0.58  1.0
  Li  Li3  1  0.07  0.15  0.58  1.0
  Li  Li4  1  0.86  0.0  0.58  1.0
  Li  Li5  1  0.07  0.85  0.58  1.0
  Li  Li6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.0  0.43  1.0
  Cu  Cu8  1  0.0  0.0  0.73  1.0
  N  N9  1  0.0  0.0  0.87  1.0
  N  N10  1  0.0  0.0  0.28  1.0
  N  N11  1  0.0  0.0  0.58  1.0

data_Li7Cu2N3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   75.22
_cell_angle_beta   75.22
_cell_angle_gamma   75.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Cu2N3
_chemical_formula_sum   'Li7 Cu2 N3'
_cell_volume   131.72
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.14  0.42  1.0
  Li  Li2  1  0.0  0.86  0.42  1.0
  Li  Li3  1  0.15  0.07  0.42  1.0
  Li  Li4  1  0.15  0.93  0.42  1.0
  Li  Li5  1  0.85  0.07  0.42  1.0
  Li  Li6  1  0.85  0.93  0.42  1.0
  Cu  Cu7  1  0.0  0.0  0.27  1.0
  Cu  Cu8  1  0.0  0.0  0.57  1.0
  N  N9  1  0.0  0.0  0.13  1.0
  N  N10  1  0.0  0.0  0.42  1.0
  N  N11  1  0.0  0.0  0.72  1.0

Li Li Li Li Li Li Li Cu Cu N N N