data_CuSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   149.11
_cell_angle_beta   131.41
_cell_angle_gamma   58.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Pd
_chemical_formula_sum   'Cu1 Sb2 Pd1'
_cell_volume   79.22
_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
  Cu  Cu0  1  0.0  0.0  0.31  1.0
  Sb  Sb2  1  0.0  0.0  0.11  1.0
  Sb  Sb3  1  0.58  0.0  0.78  1.0
  Pd  Pd1  1  0.0  0.44  0.43  1.0

data_CuSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.87
_cell_length_c   5.92
_cell_angle_alpha   114.29
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Pd
_chemical_formula_sum   'Cu1 Sb2 Pd1'
_cell_volume   79.22
_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
  Cu  Cu0  1  0.0  0.31  0.31  1.0
  Sb  Sb1  1  0.0  0.11  0.11  1.0
  Sb  Sb2  1  0.0  0.78  0.21  1.0
  Pd  Pd3  1  0.56  1.0  1.0  1.0

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