data_[La3Tb6Sc3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9360]
_cell_length_b [6.9360]
_cell_length_c [18.4340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaTb2ScS6]
_chemical_formula_sum '[La3 Tb6 Sc3 S18]'
_cell_volume [768.0215]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.1918  1.0
  Tb  Tb1  3  0.0000  0.0000  0.4783  1.0
  Tb  Tb2  3  0.0000  0.0000  0.9864  1.0
  Sc  Sc3  3  0.0000  0.0000  0.6796  1.0
  S  S4  9  0.0203  0.7248  0.5852  1.0
  S  S5  9  0.0309  0.3446  0.7490  1.0
]