data_[Yb4In8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.7446]
_cell_length_b [10.6546]
_cell_length_c [10.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Yb(InSe2)2]
_chemical_formula_sum '[Yb4 In8 Se16]'
_cell_volume [772.1740]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.2500  1
  In  In1  8  0.0042  0.2782  0.5000  1
  Se  Se2  8  0.2116  0.0647  0.0000  1
  Se  Se3  8  0.2500  0.2500  0.3117  1
]