data_[Li2Yb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Yb  1.1000  1.7500  1.0840
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [7.5298]
_cell_length_b [7.5298]
_cell_length_c [7.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [188]
_chemical_formula_structural [LiYbI3]
_chemical_formula_sum '[Li2 Yb2 I6]'
_cell_volume [370.4678]
_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
[
  Li  Li0  2  0.6667  0.3333  0.5000  1.0
  Yb  Yb1  2  0.0000  0.0000  0.0000  1.0
  I  I2  6  0.3399  0.0172  0.2500  1.0
]