data_Re2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.88
_cell_angle_alpha   98.75
_cell_angle_beta   98.75
_cell_angle_gamma   33.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoPd
_chemical_formula_sum   'Re2 Mo1 Pd1'
_cell_volume   61.08
_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  Re2  1  0.72  0.0  0.21  1.0
  Re  Re3  1  0.74  0.0  0.61  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.23  0.0  0.41  1.0

data_Re2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.81
_cell_length_c   4.88
_cell_angle_alpha   98.75
_cell_angle_beta   90.0
_cell_angle_gamma   106.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoPd
_chemical_formula_sum   'Re2 Mo1 Pd1'
_cell_volume   61.08
_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  0.26  0.39  1.0
  Re  Re1  1  0.0  0.28  0.79  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.77  0.59  1.0

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