data_[Sr8I4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3648]
_cell_length_b [4.3044]
_cell_length_c [10.2737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2IOF]
_chemical_formula_sum '[Sr8 I4 O4 F4]'
_cell_volume [511.8450]
_cell_formula_units_Z [4]
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  4  0.0279  0.5000  0.2908  1.0
  Sr  Sr1  4  0.1689  0.0000  0.0525  1.0
  I  I2  4  0.1700  0.0000  0.6196  1.0
  O  O3  4  0.1424  0.5000  0.9299  1.0
  F  F4  4  0.0509  0.0000  0.1890  1.0
]