data_[K6Tb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.9240]
_cell_length_b [8.8536]
_cell_length_c [6.8719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K3TbS3]
_chemical_formula_sum '[K6 Tb2 S6]'
_cell_volume [1273.0272]
_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  0.1416  0.1905  0.0124  1
  K  K1  2  0.0000  0.3922  0.4011  1
  Tb  Tb2  2  0.0000  0.0196  0.7029  1
  S  S3  4  0.0918  0.1228  0.4436  1
  S  S4  2  0.0000  0.2541  0.9602  1
]