data_[K6Y2Sb4S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0644]
_cell_length_b [12.2350]
_cell_length_c [7.7263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Y(SbS3)2]
_chemical_formula_sum '[K6 Y2 Sb4 S12]'
_cell_volume [636.0894]
_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  0.1687  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3336  0.0000  1.0
  S  S4  8  0.2332  0.1655  0.2031  1.0
  S  S5  4  0.2368  0.5000  0.2036  1.0
]