data_Li3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   6.82
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3C
_chemical_formula_sum   'Li12 C4'
_cell_volume   173.25
_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  Li4  1  0.14  0.11  0.43  1.0
  Li  Li5  1  0.8  0.7  0.59  1.0
  Li  Li6  1  0.07  0.11  0.74  1.0
  Li  Li7  1  0.73  0.7  0.9  1.0
  Li  Li8  1  0.95  0.43  0.69  1.0
  Li  Li9  1  0.99  0.39  0.52  1.0
  Li  Li10  1  0.89  0.8  0.81  1.0
  Li  Li11  1  0.92  0.02  0.64  1.0
  Li  Li12  1  0.92  0.39  0.64  1.0
  Li  Li13  1  0.89  0.43  0.81  1.0
  Li  Li14  1  0.99  0.02  0.52  1.0
  Li  Li15  1  0.95  0.8  0.69  1.0
  C  C0  1  0.11  0.11  0.63  1.0
  C  C1  1  0.7  0.7  0.46  1.0
  C  C2  1  0.17  0.11  0.86  1.0
  C  C3  1  0.77  0.7  0.7  1.0

data_Li3C
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.33
_cell_length_b   5.87
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3C
_chemical_formula_sum   'Li12 C4'
_cell_volume   173.25
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.26  0.7  0.7  1.0
  Li  Li1  2  0.36  0.55  0.98  1.0
  Li  Li2  2  0.36  0.55  0.61  1.0
  Li  Li3  2  0.43  0.36  0.3  1.0
  Li  Li4  2  0.48  0.49  0.61  1.0
  Li  Li5  2  0.48  0.49  0.98  1.0
  C  C6  2  0.3  0.27  0.3  1.0
  C  C7  2  0.46  0.67  0.7  1.0

Li Li Li Li Li Li Li Li Li Li Li Li C C C C
Li Li Li Li Li Li Li Li Li Li Li Li C C C C 0 12 o o o 1 15 o o o 1 13 o o o 2 12 o o o 2 14 o o o 3 15 o o o 4 8 o o o 4 9 o o o 5 8 o o o 6 11 o o o 7 10 o o o 