data_Sc2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   3.94
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   91.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbPd
_chemical_formula_sum   'Sc2 Sb1 Pd1'
_cell_volume   79.77
_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  0.19  0.38  0.93  1.0
  Sc  Sc3  1  0.19  0.62  0.93  1.0
  Sb  Sb1  1  0.18  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sc2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   91.19
_cell_angle_beta   98.25
_cell_angle_gamma   98.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbPd
_chemical_formula_sum   'Sc2 Sb1 Pd1'
_cell_volume   79.77
_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  0.93  0.19  0.38  1.0
  Sc  Sc1  1  0.93  0.19  0.62  1.0
  Sb  Sb2  1  0.0  0.18  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sc Sc Sb Pd
Sc Sc Sb Pd 0 1 o o o 2 3 o o o 