data_Sc2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Pd
_chemical_formula_sum   'Sc4 Pd2'
_cell_volume   120.28
_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  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.07  1.0
  Sc  Sc4  1  0.0  0.74  0.54  1.0
  Sc  Sc5  1  0.38  0.37  0.61  1.0
  Pd  Pd0  1  0.0  0.74  0.61  1.0
  Pd  Pd1  1  0.38  0.37  0.54  1.0

data_Sc2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Pd
_chemical_formula_sum   'Sc4 Pd2'
_cell_volume   120.28
_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  Sc0  1  -0.0  0.74  0.54  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.07  1.0
  Sc  Sc3  1  0.38  0.37  0.61  1.0
  Pd  Pd4  1  -0.0  0.74  0.61  1.0
  Pd  Pd5  1  0.38  0.37  0.54  1.0

Sc Sc Sc Sc Pd Pd