data_[K6Tb4Y2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0426]
_cell_length_b [12.1981]
_cell_length_c [7.7385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tb2YS6]
_chemical_formula_sum '[K6 Tb4 Y2 S12]'
_cell_volume [633.4520]
_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  0.1668  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  4  0.0000  0.3334  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2338  0.1663  0.2023  1
  S  S5  4  0.2348  0.5000  0.2023  1
]