data_ReSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   153.02
_cell_angle_beta   146.08
_cell_angle_gamma   43.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Pd
_chemical_formula_sum   'Re1 Sb2 Pd1'
_cell_volume   82.38
_cell_formula_units_Z   1
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
  Re  Re1  1  0.0  0.01  0.57  1.0
  Sb  Sb2  1  0.0  0.0  0.15  1.0
  Sb  Sb3  1  0.61  0.0  0.68  1.0
  Pd  Pd0  1  0.0  0.0  0.14  1.0

data_ReSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.02
_cell_length_c   6.88
_cell_angle_alpha   106.96
_cell_angle_beta   103.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Pd
_chemical_formula_sum   'Re1 Sb2 Pd1'
_cell_volume   82.38
_cell_formula_units_Z   1
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
  Re  Re0  1  0.99  0.57  0.57  1.0
  Sb  Sb1  1  0.0  0.15  0.15  1.0
  Sb  Sb2  1  0.0  0.68  0.07  1.0
  Pd  Pd3  1  0.0  0.14  0.14  1.0

Re Sb Sb Pd
Re Sb Sb Pd 0 2 - o o 0 2 o o o 0 0 o + + 0 3 o o o 0 1 o o o 1 3 o o o 1 2 - o - 2 3 + o + 