data_[Sm8Sc4Ag4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3067]
_cell_length_b [18.6566]
_cell_length_c [13.1035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2ScAgTe5]
_chemical_formula_sum '[Sm8 Sc4 Ag4 Te20]'
_cell_volume [1052.8517]
_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  0.1118  0.6877  1.0
  Sm  Sm1  4  0.0000  0.1272  0.3045  1.0
  Sc  Sc2  4  0.0000  0.1897  0.0109  1.0
  Ag  Ag3  4  0.0000  0.4282  0.4589  1.0
  Te  Te4  4  0.0000  0.0444  0.0771  1.0
  Te  Te5  4  0.0000  0.2853  0.6623  1.0
  Te  Te6  4  0.0000  0.3025  0.3438  1.0
  Te  Te7  4  0.0000  0.3514  0.9995  1.0
  Te  Te8  4  0.0000  0.4979  0.7795  1.0
]