data_[Sr10S8O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3007]
_cell_length_b [9.3007]
_cell_length_c [6.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sr5S4O]
_chemical_formula_sum '[Sr10 S8 O2]'
_cell_volume [520.6047]
_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  8  0.0909  0.7203  0.9996  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5464  1.0
  S  S2  8  0.0964  0.7010  0.4972  1.0
  O  O3  2  0.0000  0.0000  0.9560  1.0
]