data_[Sr1Al1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.2850]
_cell_length_b [5.4771]
_cell_length_c [5.7159]
_cell_angle_alpha [64.9264]
_cell_angle_beta [65.8263]
_cell_angle_gamma [61.9492]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrAlF6]
_chemical_formula_sum '[Sr1 Al1 F6]'
_cell_volume [127.6030]
_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
[
  Sr  Sr0  1  0.5000  0.5000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.0905  0.3184  0.7725  1.0
  F  F3  2  0.2020  0.9455  0.2216  1.0
  F  F4  2  0.3365  0.7761  0.8132  1.0
]