data_ReSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.7
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Pd
_chemical_formula_sum   'Re1 Si2 Pd1'
_cell_volume   56.36
_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  0.41  0.0  0.09  1.0
  Si  Si2  1  0.41  0.35  0.23  1.0
  Si  Si3  1  0.0  0.0  0.22  1.0
  Pd  Pd0  1  0.0  0.35  0.12  1.0

data_ReSi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.26
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Pd
_chemical_formula_sum   'Re1 Si2 Pd1'
_cell_volume   56.36
_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
  Si  Si0  1  0.0  0.78  0.0  1.0
  Si  Si1  1  0.59  0.77  0.65  1.0
  Re  Re2  1  0.59  0.91  0.0  1.0
  Pd  Pd3  1  0.0  0.88  0.65  1.0

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