data_[Li2Tl4Pd14S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  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 [5.6514]
_cell_length_b [5.6340]
_cell_length_c [13.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl2Pd7S2]
_chemical_formula_sum '[Li2 Tl4 Pd14 S4]'
_cell_volume [441.0910]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0983  0.0000  0.3978  1
  Pd  Pd2  8  0.2108  0.2499  0.8591  1
  Pd  Pd3  4  0.0910  0.5000  0.4063  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.0632  0.5000  0.2328  1
]