data_[Sr6Yb2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Yb  1.1000  1.7500  1.0840
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5369]
_cell_length_b [10.2218]
_cell_length_c [9.4910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr3YbI8]
_chemical_formula_sum '[Sr6 Yb2 I16]'
_cell_volume [1045.5354]
_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  0.4538  0.2610  0.4781  1.0
  Sr  Sr1  2  0.4919  0.0000  0.9762  1.0
  Yb  Yb2  2  0.0519  0.0000  0.0947  1.0
  I  I3  4  0.1362  0.2680  0.3072  1.0
  I  I4  4  0.4235  0.2979  0.8125  1.0
  I  I5  2  0.0836  0.5000  0.6961  1.0
  I  I6  2  0.1577  0.0000  0.6682  1.0
  I  I7  2  0.3307  0.0000  0.1880  1.0
  I  I8  2  0.3417  0.5000  0.1855  1.0
]