data_[Sr6S4I4]
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 [C2/m]
_cell_length_a [14.6374]
_cell_length_b [4.3230]
_cell_length_c [8.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(SI)2]
_chemical_formula_sum '[Sr6 S4 I4]'
_cell_volume [517.0650]
_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  4  0.2327  0.0000  0.7788  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1312  0.5000  0.9206  1.0
  I  I3  4  0.1260  0.0000  0.3800  1.0
]