data_[K6Sc4Bi2Te12]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6600]
_cell_length_b [13.2730]
_cell_length_c [8.5849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sc2BiTe6]
_chemical_formula_sum '[K6 Sc4 Bi2 Te12]'
_cell_volume [833.0715]
_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  0.1614  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3325  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2423  0.1748  0.2015  1.0
  Te  Te5  4  0.2167  0.5000  0.1996  1.0
]