data_Re2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TePd
_chemical_formula_sum   'Re2 Te1 Pd1'
_cell_volume   71.17
_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  0.57  0.0  0.31  1.0
  Re  Re2  1  0.0  0.0  0.33  1.0
  Te  Te3  1  0.57  0.0  0.69  1.0
  Pd  Pd0  1  0.0  0.0  0.16  1.0

data_Re2TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TePd
_chemical_formula_sum   'Re2 Te1 Pd1'
_cell_volume   71.17
_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  0.0  0.33  1.0
  Re  Re1  1  0.57  0.0  0.31  1.0
  Te  Te2  1  0.57  0.0  0.69  1.0
  Pd  Pd3  1  0.0  0.0  0.16  1.0

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