data_[Li6Al6C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4870]
_cell_length_b [10.5613]
_cell_length_c [5.0629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiAlC]
_chemical_formula_sum '[Li6 Al6 C6]'
_cell_volume [186.4554]
_cell_formula_units_Z [6]
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  4  0.0000  0.3558  0.5416  1.0
  Li  Li1  2  0.0000  0.0000  0.9743  1.0
  Al  Al2  4  0.0000  0.3174  0.0388  1.0
  Al  Al3  2  0.0000  0.0000  0.4835  1.0
  C  C4  4  0.0000  0.1733  0.3059  1.0
  C  C5  2  0.0000  0.5000  0.2075  1.0
]