data_[K6Ce4Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8826]
_cell_length_b [13.6304]
_cell_length_c [8.6249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ce2ScTe6]
_chemical_formula_sum '[K6 Ce4 Sc2 Te12]'
_cell_volume [882.7113]
_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  4  0.0000  0.1711  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3341  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2268  0.1577  0.2077  1.0
  Te  Te5  4  0.2445  0.0000  0.7913  1.0
]