data_ReGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.99
_cell_angle_alpha   102.37
_cell_angle_beta   102.37
_cell_angle_gamma   34.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGePd2
_chemical_formula_sum   'Re1 Ge1 Pd2'
_cell_volume   60.74
_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  Re3  1  0.86  0.0  0.41  1.0
  Ge  Ge0  1  0.47  0.0  0.25  1.0
  Pd  Pd1  1  0.11  0.0  0.01  1.0
  Pd  Pd2  1  0.4  0.0  0.61  1.0

data_ReGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.72
_cell_length_c   4.99
_cell_angle_alpha   102.37
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGePd2
_chemical_formula_sum   'Re1 Ge1 Pd2'
_cell_volume   60.74
_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  0.0  0.14  0.59  1.0
  Ge  Ge1  1  0.0  0.53  0.75  1.0
  Pd  Pd2  1  0.0  0.6  0.39  1.0
  Pd  Pd3  1  0.0  0.89  0.99  1.0

Re Ge Pd Pd
Re Ge Pd Pd 0 1 o o o 1 2 o o o 1 3 o o o 