data_[K2Tb6Ag4Se12]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6959]
_cell_length_b [4.1839]
_cell_length_c [8.2854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTb3(AgSe3)2]
_chemical_formula_sum '[K2 Tb6 Ag4 Se12]'
_cell_volume [654.1848]
_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  2  0.0000  0.5000  0.0000  1
  Tb  Tb1  4  0.1717  0.0000  0.8084  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Ag  Ag3  4  0.2032  0.0000  0.2965  1
  Se  Se4  4  0.0219  0.0000  0.7396  1
  Se  Se5  4  0.1560  0.5000  0.5533  1
  Se  Se6  4  0.1754  0.5000  0.0664  1
]