data_[Cs2P4Pd2Se2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.9865]
_cell_length_b [9.5981]
_cell_length_c [7.0840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsP2PdSeS6]
_chemical_formula_sum '[Cs2 P4 Pd2 Se2 S12]'
_cell_volume [605.3821]
_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
[
  Cs  Cs0  2  0.0000  0.8919  0.0000  1
  P  P1  4  0.2041  0.1402  0.5762  1
  Pd  Pd2  2  0.0000  0.4836  0.5000  1
  Se  Se3  2  0.0000  0.9930  0.5000  1
  S  S4  4  0.1430  0.3136  0.7091  1
  S  S5  4  0.1571  0.5239  0.2353  1
  S  S6  4  0.1811  0.6628  0.6505  1
]