data_ScSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   135.02
_cell_angle_beta   131.78
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPd2
_chemical_formula_sum   'Sc1 Sn1 Pd2'
_cell_volume   72.36
_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  Sc2  1  0.0  0.0  0.3  1.0
  Sn  Sn3  1  0.98  0.0  0.1  1.0
  Pd  Pd0  1  0.0  0.0  0.03  1.0
  Pd  Pd1  1  0.0  0.12  0.17  1.0

data_ScSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.24
_cell_length_c   5.19
_cell_angle_alpha   114.11
_cell_angle_beta   112.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPd2
_chemical_formula_sum   'Sc1 Sn1 Pd2'
_cell_volume   72.36
_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  0.0  0.3  0.3  1.0
  Sn  Sn1  1  0.0  0.1  0.12  1.0
  Pd  Pd2  1  0.0  0.03  0.03  1.0
  Pd  Pd3  1  0.88  0.05  0.05  1.0

Sc Sn Pd Pd