data_ReTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   144.67
_cell_angle_beta   130.02
_cell_angle_gamma   62.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePd2
_chemical_formula_sum   'Re1 Te1 Pd2'
_cell_volume   69.16
_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  0.64  0.0  0.44  1.0
  Te  Te3  1  0.0  0.0  0.37  1.0
  Pd  Pd0  1  0.64  0.0  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.89  1.0

data_ReTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.57
_cell_length_c   5.41
_cell_angle_alpha   114.99
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePd2
_chemical_formula_sum   'Re1 Te1 Pd2'
_cell_volume   69.16
_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  0.44  0.8  1.0
  Te  Te1  1  0.0  0.37  0.37  1.0
  Pd  Pd2  1  0.0  0.15  0.51  1.0
  Pd  Pd3  1  0.0  0.89  0.89  1.0

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