data_CuAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.78
_cell_angle_alpha   100.07
_cell_angle_beta   100.07
_cell_angle_gamma   117.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Pd
_chemical_formula_sum   'Cu1 Ag2 Pd1'
_cell_volume   64.11
_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  Cu2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.9  0.76  0.31  1.0
  Ag  Ag1  1  0.9  0.24  0.31  1.0
  Pd  Pd3  1  0.73  0.0  0.0  1.0

data_CuAg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.23
_cell_length_c   5.25
_cell_angle_alpha   116.74
_cell_angle_beta   100.07
_cell_angle_gamma   100.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Pd
_chemical_formula_sum   'Cu1 Ag2 Pd1'
_cell_volume   64.11
_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  0.0  1.0
  Ag  Ag1  1  0.07  0.76  0.65  1.0
  Ag  Ag2  1  0.55  0.24  0.14  1.0
  Pd  Pd3  1  -0.0  0.0  0.73  1.0

Cu Ag Ag Pd
Cu Ag Ag Pd 0 2 - o o 0 3 - o o 0 1 - - o 0 1 - - - 2 3 o o o 