data_ReTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.4
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePd2
_chemical_formula_sum   'Re1 Te1 Pd2'
_cell_volume   67.91
_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  0.65  0.7  0.98  1.0
  Te  Te3  1  0.0  0.0  0.49  1.0
  Pd  Pd0  1  0.65  0.7  0.08  1.0
  Pd  Pd1  1  0.0  0.0  0.53  1.0

data_ReTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.4
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePd2
_chemical_formula_sum   'Re1 Te1 Pd2'
_cell_volume   67.91
_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  0.65  0.7  0.98  1.0
  Te  Te1  1  0.0  0.0  0.49  1.0
  Pd  Pd2  1  0.0  0.0  0.53  1.0
  Pd  Pd3  1  0.65  0.7  0.08  1.0

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