data_Cu2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.8
_cell_angle_alpha   100.08
_cell_angle_beta   100.08
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AgPd
_chemical_formula_sum   'Cu2 Ag1 Pd1'
_cell_volume   58.12
_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  0.39  0.0  0.14  1.0
  Cu  Cu2  1  0.56  0.0  0.58  1.0
  Ag  Ag0  1  0.98  0.0  0.36  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Cu2AgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.63
_cell_length_c   4.8
_cell_angle_alpha   100.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AgPd
_chemical_formula_sum   'Cu2 Ag1 Pd1'
_cell_volume   58.12
_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  0.44  0.42  1.0
  Cu  Cu1  1  0.0  0.61  0.86  1.0
  Ag  Ag2  1  0.0  0.02  0.64  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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