data_CoSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Pd
_chemical_formula_sum   'Co1 Sb2 Pd1'
_cell_volume   72.48
_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  0.21  0.0  0.48  1.0
  Sb  Sb3  1  0.21  0.0  0.61  1.0
  Pd  Pd1  1  0.0  0.0  0.55  1.0

data_CoSb2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CoSb2Pd
_chemical_formula_sum   'Co1 Sb2 Pd1'
_cell_volume   72.55
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sb1  1  0.21  0.0  0.48  1.0
  Sb  Sb2  1  0.21  0.0  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.55  1.0

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