data_[Na3Li3C3O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.3691]
_cell_length_b [8.3691]
_cell_length_c [3.3387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [NaLiCO3]
_chemical_formula_sum '[Na3 Li3 C3 O9]'
_cell_volume [202.5200]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0385  0.3232  0.5000  1.0
  Li  Li1  3  0.3800  0.3404  0.0000  1.0
  C  C2  1  0.0000  0.0000  0.0000  1.0
  C  C3  1  0.3333  0.6667  0.0000  1.0
  C  C4  1  0.6667  0.3333  0.5000  1.0
  O  O5  3  0.1795  0.0896  0.0000  1.0
  O  O6  3  0.2262  0.7377  0.0000  1.0
  O  O7  3  0.5410  0.3824  0.5000  1.0
]