data_[As4Pd14S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  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 [8.5376]
_cell_length_b [7.4398]
_cell_length_c [6.1114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2Pd7S2]
_chemical_formula_sum '[As4 Pd14 S4]'
_cell_volume [378.8928]
_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
[
  As  As0  4  0.2211  0.5000  0.0448  1
  Pd  Pd1  8  0.2327  0.2019  0.2696  1
  Pd  Pd2  4  0.0279  0.5000  0.2866  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0000  0.2185  0.5000  1
]