data_[La8Sc4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1619]
_cell_length_b [17.5588]
_cell_length_c [12.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ScAgSe5]
_chemical_formula_sum '[La8 Sc4 Ag4 Se20]'
_cell_volume [910.0876]
_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
[
  La  La0  4  0.0000  0.1112  0.6877  1.0
  La  La1  4  0.0000  0.1275  0.3083  1.0
  Sc  Sc2  4  0.0000  0.1946  0.0125  1.0
  Ag  Ag3  4  0.0000  0.4411  0.4542  1.0
  Se  Se4  4  0.0000  0.0509  0.0744  1.0
  Se  Se5  4  0.0000  0.2864  0.6608  1.0
  Se  Se6  4  0.0000  0.3030  0.3547  1.0
  Se  Se7  4  0.0000  0.3534  0.0025  1.0
  Se  Se8  4  0.0000  0.4959  0.7690  1.0
]