data_SrFe2Se2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   9.99
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Se2O
_chemical_formula_sum   'Sr2 Fe4 Se4 O2'
_cell_volume   275.34
_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  0.0  0.99  0.36  1.0
  Sr  Sr1  1  0.06  0.0  0.34  1.0
  Fe  Fe2  1  0.0  0.34  0.85  1.0
  Fe  Fe3  1  0.06  0.35  0.86  1.0
  Fe  Fe4  1  0.0  0.65  0.85  1.0
  Fe  Fe5  1  0.06  0.64  0.86  1.0
  Se  Se6  1  0.0  0.97  0.04  1.0
  Se  Se7  1  0.0  0.02  0.04  1.0
  Se  Se8  1  0.06  0.96  0.66  1.0
  Se  Se9  1  0.06  0.02  0.66  1.0
  O  O10  1  0.0  0.0  0.88  1.0
  O  O11  1  0.06  0.99  0.82  1.0

data_SrFe2Se2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   6.71
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Se2O
_chemical_formula_sum   'Sr2 Fe4 Se4 O2'
_cell_volume   275.34
_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  0.0  0.64  0.01  1.0
  Sr  Sr1  1  0.94  0.66  0.0  1.0
  Fe  Fe2  1  0.0  0.15  0.35  1.0
  Fe  Fe3  1  0.0  0.15  0.66  1.0
  Fe  Fe4  1  0.94  0.14  0.36  1.0
  Fe  Fe5  1  0.94  0.14  0.65  1.0
  Se  Se6  1  0.0  0.96  0.03  1.0
  Se  Se7  1  0.0  0.96  0.98  1.0
  Se  Se8  1  0.94  0.34  0.04  1.0
  Se  Se9  1  0.94  0.34  0.98  1.0
  O  O10  1  0.0  0.12  0.0  1.0
  O  O11  1  0.94  0.18  0.01  1.0

Sr Sr Fe Fe Fe Fe Se Se Se Se O O