data_ScCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   8.38
_cell_length_c   8.38
_cell_angle_alpha   20.1
_cell_angle_beta   20.1
_cell_angle_gamma   20.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Pd
_chemical_formula_sum   'Sc1 Cr2 Pd1'
_cell_volume   60.85
_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  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.32  1.0
  Cr  Cr1  1  0.0  0.0  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.45  1.0

data_ScCr2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCr2Pd
_chemical_formula_sum   'Sc2 Cr4 Pd2'
_cell_volume   121.7
_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  0.59  1.0
  Cr  Cr1  2  0.0  0.0  0.61  1.0
  Cr  Cr2  2  0.0  0.0  0.68  1.0
  Pd  Pd3  2  0.0  0.0  0.55  1.0

Sc Cr Cr Pd
Sc Cr Cr Pd 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 