data_[Yb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [6.9686]
_cell_length_b [8.1931]
_cell_length_c [7.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [41]
_chemical_formula_structural [YbSe3]
_chemical_formula_sum '[Yb4 Se12]'
_cell_volume [414.7321]
_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  0.4920  1.0
  Se  Se1  8  0.1578  0.3203  0.6539  1.0
  Se  Se2  4  0.0000  0.0000  0.9438  1.0
]