data_[Sr8Sc4Zn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0719]
_cell_length_b [18.3082]
_cell_length_c [12.5961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ScZnSe5]
_chemical_formula_sum '[Sr8 Sc4 Zn4 Se20]'
_cell_volume [939.0299]
_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
[
  Sr  Sr0  4  0.0000  0.1179  0.6885  1.0
  Sr  Sr1  4  0.0000  0.1258  0.3190  1.0
  Sc  Sc2  4  0.0000  0.2071  0.0193  1.0
  Zn  Zn3  4  0.0000  0.4384  0.4383  1.0
  Se  Se4  4  0.0000  0.0555  0.0472  1.0
  Se  Se5  4  0.0000  0.2934  0.6639  1.0
  Se  Se6  4  0.0000  0.3053  0.3704  1.0
  Se  Se7  4  0.0000  0.3521  0.0074  1.0
  Se  Se8  4  0.0000  0.4992  0.7699  1.0
]