data_[K2Sc6Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [18.6704]
_cell_length_b [4.2774]
_cell_length_c [9.5521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSc3(AgTe3)2]
_chemical_formula_sum '[K2 Sc6 Ag4 Te12]'
_cell_volume [723.0276]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc1  4  0.1562  0.0000  0.8207  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.1524  0.0000  0.2355  1.0
  Te  Te4  4  0.0111  0.0000  0.2936  1.0
  Te  Te5  4  0.1651  0.5000  0.6211  1.0
  Te  Te6  4  0.1790  0.5000  0.0580  1.0
]