data_[Sn4Pd14S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [7.5092]
_cell_length_b [8.9641]
_cell_length_c [6.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2Pd7S2]
_chemical_formula_sum '[Sn4 Pd14 S4]'
_cell_volume [402.6230]
_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
[
  Sn  Sn0  4  0.0000  0.3154  0.5000  1
  Pd  Pd1  8  0.1779  0.2673  0.1900  1
  Pd  Pd2  4  0.1102  0.5000  0.8531  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.1648  0.0000  0.7526  1
]