data_[Ca24Al8N4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8554]
_cell_length_b [9.8554]
_cell_length_c [9.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ca6Al2NF]
_chemical_formula_sum '[Ca24 Al8 N4 F4]'
_cell_volume [957.2460]
_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
[
  Ca  Ca0  24  0.0000  0.0000  0.2593  1.0
  Al  Al1  8  0.2500  0.2500  0.2500  1.0
  N  N2  4  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0000  0.0000  0.0000  1.0
]