data_[La4Tb6Ce2S12]
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
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6236]
_cell_length_b [3.9914]
_cell_length_c [8.0791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb3CeS6]
_chemical_formula_sum '[La4 Tb6 Ce2 S12]'
_cell_volume [550.8838]
_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
[
  La  La0  4  0.1654  0.0000  0.3313  1.0
  Tb  Tb1  4  0.1672  0.0000  0.8353  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0047  0.0000  0.7453  1.0
  S  S5  4  0.1631  0.5000  0.5939  1.0
  S  S6  4  0.1689  0.5000  0.0725  1.0
]