data_Re2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   8.62
_cell_angle_alpha   18.83
_cell_angle_beta   18.83
_cell_angle_gamma   18.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SiPd
_chemical_formula_sum   'Re2 Si1 Pd1'
_cell_volume   58.23
_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  0.0  0.29  1.0
  Re  Re2  1  0.0  0.0  0.26  1.0
  Si  Si3  1  0.0  0.0  0.69  1.0
  Pd  Pd0  1  0.0  0.0  0.22  1.0

data_Re2SiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2SiPd
_chemical_formula_sum   'Re4 Si2 Pd2'
_cell_volume   116.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.31  1.0
  Re  Re1  2  0.0  0.0  0.71  1.0
  Re  Re2  2  0.0  0.0  0.74  1.0
  Pd  Pd3  2  0.0  0.0  0.78  1.0

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