data_ScSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.16
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPd2
_chemical_formula_sum   'Sc1 Sn1 Pd2'
_cell_volume   75.38
_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  0.0  1.0
  Sn  Sn3  1  0.01  0.0  0.0  1.0
  Pd  Pd0  1  0.89  0.85  0.46  1.0
  Pd  Pd1  1  0.89  0.15  0.46  1.0

data_ScSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   110.08
_cell_angle_beta   102.83
_cell_angle_gamma   102.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPd2
_chemical_formula_sum   'Sc1 Sn1 Pd2'
_cell_volume   75.38
_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  0.0  0.0  1.0
  Sn  Sn1  1  -0.0  0.01  0.0  1.0
  Pd  Pd2  1  0.46  0.89  0.15  1.0
  Pd  Pd3  1  0.46  0.89  0.85  1.0

Sc Sn Pd Pd
Sc Sn Pd Pd 0 1 o o o 0 2 - - o 0 2 - - - 0 3 - o o 1 2 - - - 1 3 - o o 2 3 o + o 