data_[K6Tb2Sm4S12]
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
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1342]
_cell_length_b [12.3583]
_cell_length_c [7.7584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tb(SmS3)2]
_chemical_formula_sum '[K6 Tb2 Sm4 S12]'
_cell_volume [651.1109]
_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  0.1672  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  4  0.0000  0.3334  0.0000  1.0
  S  S4  8  0.2327  0.1646  0.2044  1.0
  S  S5  4  0.2390  0.5000  0.2044  1.0
]