data_[K6Tb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.7996]
_cell_length_b [3.9229]
_cell_length_c [16.5490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K3TbSe3]
_chemical_formula_sum '[K6 Tb2 Se6]'
_cell_volume [1350.3009]
_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  0.1394  0.0000  0.8647  1
  K  K1  2  0.0000  0.0000  0.0605  1
  Tb  Tb2  2  0.0000  0.0000  0.7710  1
  Se  Se3  4  0.0950  0.0000  0.2174  1
  Se  Se4  2  0.0000  0.0000  0.4079  1
]