data_Re3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.79
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Pd
_chemical_formula_sum   'Re3 Pd1'
_cell_volume   60.23
_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  0.59  0.0  0.48  1.0
  Re  Re2  1  0.17  0.0  0.35  1.0
  Re  Re3  1  0.74  0.0  0.22  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Re3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.79
_cell_length_c   4.81
_cell_angle_alpha   100.21
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Pd
_chemical_formula_sum   'Re3 Pd1'
_cell_volume   60.23
_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  Re0  1  0.0  0.22  0.74  1.0
  Re  Re1  1  0.0  0.35  0.17  1.0
  Re  Re2  1  0.0  0.48  0.59  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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