data_[Cs4Yb4Zn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Yb  1.1000  1.7500  1.0840
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1678]
_cell_length_b [4.1164]
_cell_length_c [16.0917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsYbZnSe3]
_chemical_formula_sum '[Cs4 Yb4 Zn4 Se12]'
_cell_volume [739.7567]
_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
[
  Cs  Cs0  4  0.2499  0.2500  0.5136  1
  Yb  Yb1  4  0.0085  0.2500  0.2473  1
  Zn  Zn2  4  0.2417  0.2500  0.7910  1
  Se  Se3  4  0.0574  0.2500  0.8737  1
  Se  Se4  4  0.0692  0.7500  0.3690  1
  Se  Se5  4  0.2401  0.7500  0.6989  1
]