data_[Sr12Si2P4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7960]
_cell_length_b [13.8590]
_cell_length_c [8.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6SiP2I3]
_chemical_formula_sum '[Sr12 Si2 P4 I6]'
_cell_volume [863.7248]
_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  0.2327  0.1725  0.1958  1.0
  Sr  Sr1  4  0.2266  0.5000  0.2014  1.0
  Si  Si2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.3363  0.0000  1.0
  I  I4  4  0.0000  0.1681  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]