data_[Yb1In1I4]
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 [P2/m]
_cell_length_a [7.6615]
_cell_length_b [4.4244]
_cell_length_c [7.8759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YbInI4]
_chemical_formula_sum '[Yb1 In1 I4]'
_cell_volume [266.9552]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.2319  0.0000  0.3378  1.0
  I  I3  2  0.2345  0.5000  0.8280  1.0
]