data_[K6Y4Bi2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  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 [7.8623]
_cell_length_b [13.6189]
_cell_length_c [8.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Y2BiTe6]
_chemical_formula_sum '[K6 Y4 Bi2 Te12]'
_cell_volume [882.9275]
_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  0.1646  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.0000  0.3331  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2389  0.1690  0.2094  1
  Te  Te5  4  0.2314  0.5000  0.2087  1
]