data_[Rb4P4Pd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  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 [13.1167]
_cell_length_b [7.0273]
_cell_length_c [8.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbPPdS3]
_chemical_formula_sum '[Rb4 P4 Pd4 S12]'
_cell_volume [670.5880]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.2092  0.5000  0.7330  1
  P  P1  4  0.0403  0.0000  0.6552  1
  Pd  Pd2  4  0.0000  0.1892  0.0000  1
  S  S3  8  0.0365  0.2349  0.2965  1
  S  S4  4  0.2127  0.0000  0.7752  1
]