data_CoSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Pd
_chemical_formula_sum   'Co1 Sb2 Pd1'
_cell_volume   72.54
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.63  0.63  0.29  1.0
  Sb  Sb3  1  0.63  0.63  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.43  1.0

data_CoSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoSb2Pd
_chemical_formula_sum   'Co2 Sb4 Pd2'
_cell_volume   145.07
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.13  0.5  0.29  1.0
  Sb  Sb2  2  0.13  0.5  0.57  1.0
  Pd  Pd3  2  0.0  0.0  0.43  1.0

Co Sb Sb Pd
Co Sb Sb Pd 0 2 - - - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 + + o 1 2 o o o 2 3 + + o 