data_[Sr16Ca8Al8O32F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.3690]
_cell_length_b [9.6215]
_cell_length_c [11.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr2CaAlO4F]
_chemical_formula_sum '[Sr16 Ca8 Al8 O32 F8]'
_cell_volume [999.7290]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.0000  0.1682  0.5000  1
  Sr  Sr1  8  0.2500  0.2500  0.2500  1
  Ca  Ca2  8  0.1698  0.0000  0.0000  1
  Al  Al3  8  0.0000  0.0000  0.2502  1
  O  O4  16  0.0000  0.1402  0.1455  1
  O  O5  16  0.1471  0.0000  0.6453  1
  F  F6  8  0.2500  0.2500  0.0000  1
]