data_[Li12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.1729]
_cell_length_b [10.1729]
_cell_length_c [2.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Li]
_chemical_formula_sum '[Li12]'
_cell_volume [254.8931]
_cell_formula_units_Z [12]
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  6  0.0696  0.2937  0.2500  1.0
  Li  Li1  6  0.1480  0.6137  0.2500  1.0
]