data_[K4Y4Te2S12]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9260]
_cell_length_b [11.9289]
_cell_length_c [7.8943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Y2TeS6]
_chemical_formula_sum '[K4 Y4 Te2 S12]'
_cell_volume [624.1210]
_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  0.1671  0.0000  1.0
  Y  Y1  4  0.0000  0.3336  0.5000  1.0
  Te  Te2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2273  0.1632  0.6958  1.0
  S  S4  4  0.2417  0.5000  0.6962  1.0
]