data_Rb2Pd3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   10.68
_cell_length_c   27.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Pd3S4
_chemical_formula_sum   'Rb4 Pd6 S8'
_cell_volume   1828.71
_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  Rb6  1  0.0  0.5  0.32  1.0
  Rb  Rb7  1  0.0  0.5  0.17  1.0
  Rb  Rb8  1  0.5  0.0  0.32  1.0
  Rb  Rb9  1  0.5  0.0  0.17  1.0
  Pd  Pd0  1  0.25  0.75  0.25  1.0
  Pd  Pd1  1  0.5  0.5  0.25  1.0
  Pd  Pd2  1  0.25  0.25  0.25  1.0
  Pd  Pd3  1  0.75  0.25  0.25  1.0
  Pd  Pd4  1  0.0  0.0  0.25  1.0
  Pd  Pd5  1  0.75  0.75  0.25  1.0
  S  S10  1  0.0  0.17  0.3  1.0
  S  S11  1  0.0  0.17  0.19  1.0
  S  S12  1  0.0  0.83  0.3  1.0
  S  S13  1  0.0  0.83  0.19  1.0
  S  S14  1  0.5  0.67  0.3  1.0
  S  S15  1  0.5  0.67  0.19  1.0
  S  S16  1  0.5  0.33  0.3  1.0
  S  S17  1  0.5  0.33  0.19  1.0

Pd Pd Pd Rb Rb S S S S 0 8 o o o 0 7 o o o 0 6 - o o 0 5 - o o 0 3 - o o 0 3 o o o 0 4 - o o 0 4 o o o 1 8 o - o 1 7 o - o 1 6 - o o 1 5 - o o 1 3 - - o 1 3 o o o 1 4 - - o 1 4 o o o 2 6 o o o 2 5 o o o 2 8 o - o 2 7 o - o 2 3 o - o 2 3 o o o 2 4 o - o 2 4 o o o 3 7 + o o 3 7 o - o 3 7 o o o 3 5 o + o 3 5 o o o 3 5 - o o 3 4 o o o 4 8 + o o 4 8 o - o 4 8 o o o 4 6 o + o 4 6 o o o 4 6 - o o 
data_Rb2Pd3S4
_symmetry_space_group_name_H-M   P6/mmm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   27.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   191
_chemical_formula_structural   Rb2Pd3S4
_chemical_formula_sum   'Rb2 Pd3 S4'
_cell_volume   914.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x-y, x, z'
  4  '-x+y, -x, -z'
  5  '-y, x-y, z'
  6  'y, -x+y, -z'
  7  '-x, -y, z'
  8  'x, y, -z'
  9  '-x+y, -x, z'
  10  'x-y, x, -z'
  11  'y, -x+y, z'
  12  '-y, x-y, -z'
  13  '-y, -x, -z'
  14  'y, x, z'
  15  '-x, -x+y, -z'
  16  'x, x-y, z'
  17  '-x+y, y, -z'
  18  'x-y, -y, z'
  19  'y, x, -z'
  20  '-y, -x, z'
  21  'x, x-y, -z'
  22  '-x, -x+y, z'
  23  'x-y, -y, -z'
  24  '-x+y, 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  2  0.0  0.0  0.42  1.0
  Pd  Pd1  3  0.0  0.5  0.5  1.0
  S  S2  4  0.33  0.67  0.56  1.0
