data_[Al4C4N4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9274]
_cell_length_b [14.0177]
_cell_length_c [6.1481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AlCNO5]
_chemical_formula_sum '[Al4 C4 N4 O20]'
_cell_volume [424.6523]
_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
[
  Al  Al0  4  0.0000  0.0000  0.0000  1
  C  C1  4  0.0000  0.1714  0.2500  1
  N  N2  4  0.0000  0.4804  0.7500  1
  O  O3  8  0.0000  0.1207  0.0645  1
  O  O4  8  0.2168  0.4663  0.2500  1
  O  O5  4  0.0000  0.2581  0.2500  1
]