data_[Tl4Cd2Pd14S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6808]
_cell_length_b [5.6822]
_cell_length_c [14.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CdPd7S2]
_chemical_formula_sum '[Tl4 Cd2 Pd14 S4]'
_cell_volume [455.3899]
_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
[
  Tl  Tl0  4  0.0969  0.0000  0.3990  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.2068  0.2500  0.8520  1.0
  Pd  Pd3  4  0.0895  0.5000  0.4089  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.0678  0.5000  0.2388  1.0
]