data_Li7C6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   7.61
_cell_angle_alpha   37.56
_cell_angle_beta   37.56
_cell_angle_gamma   37.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7C6
_chemical_formula_sum   'Li7 C6'
_cell_volume   146.67
_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  Li6  1  0.87  0.65  0.13  1.0
  Li  Li7  1  0.0  0.7  0.13  1.0
  Li  Li8  1  0.13  0.65  0.13  1.0
  Li  Li9  1  0.13  0.35  0.05  1.0
  Li  Li10  1  0.87  0.35  0.05  1.0
  Li  Li11  1  0.0  0.3  0.05  1.0
  Li  Li12  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.0  0.88  1.0
  C  C1  1  0.0  0.0  0.3  1.0
  C  C2  1  0.0  0.0  0.16  1.0
  C  C3  1  0.0  0.0  0.03  1.0
  C  C4  1  0.0  0.0  0.81  1.0
  C  C5  1  0.0  0.0  0.37  1.0

data_Li7C6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   7.61
_cell_angle_alpha   71.22
_cell_angle_beta   71.22
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7C6
_chemical_formula_sum   'Li7 C6'
_cell_volume   146.67
_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  0.3  0.87  0.83  1.0
  Li  Li2  1  0.35  0.87  0.91  1.0
  Li  Li3  1  0.35  0.87  0.66  1.0
  Li  Li4  1  0.65  0.95  0.52  1.0
  Li  Li5  1  0.65  0.95  0.27  1.0
  Li  Li6  1  0.7  0.95  0.35  1.0
  C  C7  1  0.0  0.12  0.88  1.0
  C  C8  1  0.0  0.19  0.81  1.0
  C  C9  1  0.0  0.63  0.37  1.0
  C  C10  1  0.0  0.7  0.3  1.0
  C  C11  1  0.0  0.84  0.16  1.0
  C  C12  1  0.0  0.97  0.03  1.0

Li Li Li Li Li Li Li C C C C C C