data_[La6Tb2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3461]
_cell_length_b [4.1449]
_cell_length_c [11.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3TbS6]
_chemical_formula_sum '[La6 Tb2 S12]'
_cell_volume [528.2911]
_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
[
  Tb  Tb0  2  0.0413  0.7500  0.6803  1.0
  La  La1  2  0.1617  0.7500  0.0823  1.0
  La  La2  2  0.3154  0.2500  0.4909  1.0
  La  La3  2  0.4212  0.7500  0.8295  1.0
  S  S4  2  0.0853  0.2500  0.9004  1.0
  S  S5  2  0.1029  0.7500  0.4583  1.0
  S  S6  2  0.1778  0.2500  0.2489  1.0
  S  S7  2  0.2425  0.2500  0.7144  1.0
  S  S8  2  0.4089  0.7500  0.0714  1.0
  S  S9  2  0.4736  0.7500  0.6110  1.0
]