data_ScPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2
_chemical_formula_sum   'Sc2 Pd4'
_cell_volume   102.43
_cell_formula_units_Z   2
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  Sc4  1  0.75  0.34  0.27  1.0
  Sc  Sc5  1  0.75  0.66  0.09  1.0
  Pd  Pd0  1  0.75  0.53  0.27  1.0
  Pd  Pd1  1  0.75  0.05  0.09  1.0
  Pd  Pd2  1  0.75  0.95  0.27  1.0
  Pd  Pd3  1  0.75  0.47  0.09  1.0

data_ScPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.49
_cell_length_b   4.35
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScPd2
_chemical_formula_sum   'Sc2 Pd4'
_cell_volume   102.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.41  0.34  1.0
  Pd  Pd1  2  0.05  0.59  0.05  1.0
  Pd  Pd2  2  0.47  0.59  0.47  1.0

Sc Sc Pd Pd Pd Pd