data_[Sm8Sc4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [4.0666]
_cell_length_b [17.2483]
_cell_length_c [12.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2ScAgSe5]
_chemical_formula_sum '[Sm8 Sc4 Ag4 Se20]'
_cell_volume [863.2252]
_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
[
  Sm  Sm0  4  0.0000  0.1104  0.6866  1.0
  Sm  Sm1  4  0.0000  0.1276  0.3057  1.0
  Sc  Sc2  4  0.0000  0.1943  0.0119  1.0
  Ag  Ag3  4  0.0000  0.4395  0.4562  1.0
  Se  Se4  4  0.0000  0.0497  0.0790  1.0
  Se  Se5  4  0.0000  0.2846  0.6626  1.0
  Se  Se6  4  0.0000  0.3028  0.3496  1.0
  Se  Se7  4  0.0000  0.3550  0.0012  1.0
  Se  Se8  4  0.0000  0.4961  0.7713  1.0
]