data_CuAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   138.39
_cell_angle_beta   138.39
_cell_angle_gamma   60.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsPd
_chemical_formula_sum   'Cu1 As1 Pd1'
_cell_volume   44.68
_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  Cu1  1  0.0  0.0  0.68  1.0
  As  As0  1  0.0  0.0  0.03  1.0
  Pd  Pd2  1  0.0  0.0  0.38  1.0

data_CuAsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   120.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuAsPd
_chemical_formula_sum   'Cu2 As2 Pd2'
_cell_volume   89.36
_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
  Cu  Cu0  2  0.0  0.0  0.68  1.0
  As  As1  2  0.0  0.0  0.03  1.0
  Pd  Pd2  2  0.0  0.0  0.38  1.0

Cu As Pd
Cu As Pd 0 2 o o o 0 1 o o + 1 2 o o o 