data_[K4Tb4Zn4S12]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0033]
_cell_length_b [14.3813]
_cell_length_c [10.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTbZnS3]
_chemical_formula_sum '[K4 Tb4 Zn4 S12]'
_cell_volume [612.4453]
_cell_formula_units_Z [4]
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  0.2459  0.7500  1.0
  Tb  Tb1  4  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0352  0.2500  1.0
  S  S3  8  0.0000  0.1222  0.0667  1.0
  S  S4  4  0.0000  0.4370  0.2500  1.0
]