data_[Ac4Hf2Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.6490]
_cell_length_b [11.4469]
_cell_length_c [6.8785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ac2HfPdS6]
_chemical_formula_sum '[Ac4 Hf2 Pd2 S12]'
_cell_volume [523.5210]
_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  0.0000  0.3190  0.8004  1
  Hf  Hf1  2  0.0000  0.0000  0.2046  1
  Pd  Pd2  2  0.0000  0.5000  0.2991  1
  S  S3  4  0.0000  0.2246  0.2067  1
  S  S4  4  0.2283  0.5000  0.5531  1
  S  S5  4  0.2305  0.5000  0.0433  1
]