data_[Na4Al4C4O20]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7861]
_cell_length_b [7.9295]
_cell_length_c [9.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaAlCO5]
_chemical_formula_sum '[Na4 Al4 C4 O20]'
_cell_volume [433.4740]
_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
[
  Na  Na0  4  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.2500  0.2500  0.7500  1
  C  C2  4  0.0000  0.2500  0.4671  1
  O  O3  8  0.0000  0.1107  0.7768  1
  O  O4  8  0.1978  0.2500  0.5304  1
  O  O5  4  0.0000  0.2500  0.3313  1
]