data_[Na24Al18Si18C3O81]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [12.8817]
_cell_length_b [12.8817]
_cell_length_c [15.7696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na8Al6Si6CO27]
_chemical_formula_sum '[Na24 Al18 Si18 C3 O81]'
_cell_volume [2266.1790]
_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  9  0.0950  0.5479  0.7238  1
  Na  Na1  9  0.1836  0.3676  0.5951  1
  Na  Na2  3  0.0000  0.0000  0.2991  1
  Na  Na3  3  0.0000  0.0000  0.8003  1
  Al  Al4  9  0.0015  0.7516  0.2503  1
  Al  Al5  9  0.0823  0.4150  0.4175  1
  Si  Si6  9  0.0001  0.7497  0.7512  1
  Si  Si7  9  0.0855  0.4180  0.9171  1
  C  C8  3  0.0000  0.0000  0.9943  1
  O  O9  9  0.0353  0.3612  0.3143  1
  O  O10  9  0.0363  0.6712  0.8136  1
  O  O11  9  0.0401  0.6710  0.3209  1
  O  O12  9  0.0413  0.3726  0.8201  1
  O  O13  9  0.0934  0.1972  0.2539  1
  O  O14  9  0.0975  0.8938  0.7540  1
  O  O15  9  0.1169  0.0568  0.9950  1
  O  O16  9  0.1947  0.3971  0.9493  1
  O  O17  9  0.1960  0.7944  0.4505  1
]