data_[Sr2Li1Fe1O3F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0023]
_cell_length_b [4.0937]
_cell_length_c [6.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2LiFeO3F]
_chemical_formula_sum '[Sr2 Li1 Fe1 O3 F1]'
_cell_volume [113.4577]
_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  0.2603  1
  Sr  Sr1  1  0.5000  0.5000  0.7469  1
  Li  Li2  1  0.0000  0.0000  0.5011  1
  Fe  Fe3  1  0.0000  0.0000  0.0068  1
  O  O4  1  0.0000  0.5000  0.4834  1
  O  O5  1  0.0000  0.5000  0.9792  1
  O  O6  1  0.5000  0.0000  0.0328  1
  F  F7  1  0.5000  0.0000  0.5359  1
]