data_[Na2Sc6Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [18.8662]
_cell_length_b [4.2182]
_cell_length_c [8.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSc3(AgTe3)2]
_chemical_formula_sum '[Na2 Sc6 Ag4 Te12]'
_cell_volume [666.4359]
_cell_formula_units_Z [2]
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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc1  4  0.1664  0.0000  0.8292  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.1632  0.0000  0.3225  1.0
  Te  Te4  4  0.0034  0.0000  0.7345  1.0
  Te  Te5  4  0.1644  0.5000  0.5879  1.0
  Te  Te6  4  0.1729  0.5000  0.0754  1.0
]