data_[Ac4Tb2Ti2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0059]
_cell_length_b [6.9742]
_cell_length_c [7.1330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2TbTiS6]
_chemical_formula_sum '[Ac4 Tb2 Ti2 S12]'
_cell_volume [494.8134]
_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
[
  Ac  Ac0  4  0.2442  0.5000  0.7187  1
  Tb  Tb1  2  0.0000  0.5000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.0615  0.2431  0.3237  1
  S  S4  4  0.2361  0.0000  0.8450  1
]