data_[Sr12S8I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4863]
_cell_length_b [16.5009]
_cell_length_c [12.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3S2I]
_chemical_formula_sum '[Sr12 S8 I4]'
_cell_volume [914.4220]
_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  8  0.0000  0.3744  0.5256  1
  Sr  Sr1  4  0.0000  0.0094  0.7500  1
  S  S2  4  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.4013  0.7500  1
  I  I4  4  0.0000  0.3360  0.2500  1
]