data_ScRe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.27
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Pd
_chemical_formula_sum   'Sc1 Re2 Pd1'
_cell_volume   66.26
_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
  Sc  Sc3  1  0.07  0.0  0.82  1.0
  Re  Re1  1  0.05  0.0  0.23  1.0
  Re  Re2  1  0.99  0.14  0.18  1.0
  Pd  Pd0  1  0.57  0.14  0.01  1.0

data_ScRe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.27
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Pd
_chemical_formula_sum   'Sc1 Re2 Pd1'
_cell_volume   66.26
_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
  Sc  Sc0  1  0.07  0.0  0.82  1.0
  Re  Re1  1  0.05  0.0  0.23  1.0
  Re  Re2  1  0.99  0.14  0.18  1.0
  Pd  Pd3  1  0.57  0.14  0.01  1.0

Sc Re Re Pd