data_Cu2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   131.63
_cell_angle_beta   131.63
_cell_angle_gamma   70.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoPd
_chemical_formula_sum   'Cu2 Mo1 Pd1'
_cell_volume   55.33
_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
  Cu  Cu1  1  0.91  0.0  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.8  1.0
  Pd  Pd3  1  0.0  0.91  0.9  1.0

data_Cu2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   4.66
_cell_angle_alpha   114.19
_cell_angle_beta   114.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoPd
_chemical_formula_sum   'Cu2 Mo1 Pd1'
_cell_volume   55.33
_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
  Cu  Cu1  1  0.9  0.99  0.99  1.0
  Mo  Mo2  1  0.8  0.8  0.8  1.0
  Pd  Pd3  1  0.99  0.9  0.99  1.0

Cu Cu Mo Pd