data_[Sr20Ca4Al8O32F8]
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 [Fmm2]
_cell_length_a [9.6373]
_cell_length_b [11.2062]
_cell_length_c [9.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Sr5CaAl2(O4F)2]
_chemical_formula_sum '[Sr20 Ca4 Al8 O32 F8]'
_cell_volume [1028.0993]
_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
[
  Sr  Sr0  8  0.1685  0.0000  0.5001  1.0
  Sr  Sr1  8  0.2500  0.2500  0.2477  1.0
  Sr  Sr2  4  0.0000  0.0000  0.8351  1.0
  Ca  Ca3  4  0.0000  0.0000  0.1745  1.0
  Al  Al4  8  0.0000  0.2499  0.4991  1.0
  O  O5  16  0.1415  0.1472  0.0018  1.0
  O  O6  8  0.0000  0.1460  0.3535  1.0
  O  O7  8  0.0000  0.1471  0.6427  1.0
  F  F8  8  0.2446  0.0000  0.2485  1.0
]