data_SrFeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.7
_cell_angle_alpha   120.2
_cell_angle_beta   120.2
_cell_angle_gamma   88.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeO2F
_chemical_formula_sum   'Sr2 Fe2 O4 F2'
_cell_volume   128.49
_cell_formula_units_Z   2
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  0.96  0.0  0.08  1.0
  Sr  Sr1  1  0.09  0.0  0.98  1.0
  Fe  Fe2  1  0.01  0.03  0.0  1.0
  Fe  Fe3  1  0.01  0.97  0.0  1.0
  O  O4  1  0.14  0.0  0.38  1.0
  O  O5  1  0.92  0.0  0.67  1.0
  O  O6  1  0.03  0.89  0.0  1.0
  O  O7  1  0.03  0.11  0.0  1.0
  F  F8  1  0.03  0.36  0.03  1.0
  F  F9  1  0.03  0.64  0.03  1.0

data_SrFeO2F
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.65
_cell_angle_alpha   118.89
_cell_angle_beta   119.28
_cell_angle_gamma   91.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeO2F
_chemical_formula_sum   'Sr2 Fe2 O4 F2'
_cell_volume   128.49
_cell_formula_units_Z   2
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  0.11  0.0  0.02  1.0
  Sr  Sr1  1  0.89  0.0  0.92  1.0
  Fe  Fe2  1  0.01  0.03  -0.0  1.0
  Fe  Fe3  1  0.01  0.97  -0.0  1.0
  O  O4  1  0.03  0.11  -0.0  1.0
  O  O5  1  0.03  0.89  -0.0  1.0
  O  O6  1  0.24  0.0  0.33  1.0
  O  O7  1  0.76  0.0  0.62  1.0
  F  F8  1  1.0  0.36  0.97  1.0
  F  F9  1  1.0  0.64  0.97  1.0

Sr Sr Fe Fe O O O O F F