data_[Na1Sr2Al1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8984]
_cell_length_b [5.1451]
_cell_length_c [7.4245]
_cell_angle_alpha [91.8202]
_cell_angle_beta [91.2661]
_cell_angle_gamma [91.9938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaSr2AlF8]
_chemical_formula_sum '[Na1 Sr2 Al1 F8]'
_cell_volume [186.8620]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sr  Sr1  2  0.4380  0.4799  0.2410  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1464  0.7615  0.8430  1.0
  F  F4  2  0.1840  0.8787  0.1988  1.0
  F  F5  2  0.2821  0.2364  0.9641  1.0
  F  F6  2  0.2968  0.3122  0.5187  1.0
]