data_ScSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26
_cell_length_b   9.26
_cell_length_c   9.26
_cell_angle_alpha   20.83
_cell_angle_beta   20.83
_cell_angle_gamma   20.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb2Pd
_chemical_formula_sum   'Sc1 Sb2 Pd1'
_cell_volume   87.89
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.52  1.0
  Sb  Sb2  1  0.0  0.0  0.64  1.0
  Pd  Pd0  1  0.0  0.0  0.58  1.0

data_ScSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   3.35
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSb2Pd
_chemical_formula_sum   'Sc2 Sb4 Pd2'
_cell_volume   175.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.36  1.0
  Sb  Sb2  2  0.0  0.0  0.48  1.0
  Pd  Pd3  2  0.0  0.0  0.42  1.0

Sc Sb Sb Pd