data_[Rb6Th6Pd2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  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 [14.0589]
_cell_length_b [8.4694]
_cell_length_c [8.9926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Th3PdS8]
_chemical_formula_sum '[Rb6 Th6 Pd2 S16]'
_cell_volume [922.0654]
_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
[
  Rb  Rb0  4  0.2500  0.2500  0.0000  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.2500  0.2500  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
  S  S5  8  0.0254  0.2744  0.3001  1
  S  S6  4  0.2064  0.0000  0.6649  1
  S  S7  4  0.2344  0.5000  0.7009  1
]