data_[Yb2In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1094]
_cell_length_b [4.4206]
_cell_length_c [7.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbInI4]
_chemical_formula_sum '[Yb2 In2 I8]'
_cell_volume [530.6778]
_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
[
  Yb  Yb0  2  0.0000  0.5000  0.0000  1.0
  In  In1  2  0.0000  0.0000  0.5000  1.0
  I  I2  4  0.1168  0.0000  0.2810  1.0
  I  I3  4  0.1185  0.5000  0.7923  1.0
]