data_CuPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd5
_chemical_formula_sum   'Cu1 Pd5'
_cell_volume   89.92
_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
  Pd  Pd1  1  0.95  0.05  0.95  1.0
  Pd  Pd2  1  0.95  0.08  0.0  1.0
  Pd  Pd3  1  0.95  0.0  0.95  1.0
  Pd  Pd4  1  0.95  0.92  0.0  1.0
  Pd  Pd5  1  0.95  0.95  0.95  1.0

data_CuPd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPd5
_chemical_formula_sum   'Cu1 Pd5'
_cell_volume   89.92
_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
  Pd  Pd1  1  0.0  0.05  0.05  1.0
  Pd  Pd2  1  0.05  0.05  0.09  1.0
  Pd  Pd3  1  0.08  0.0  0.13  1.0
  Pd  Pd4  1  0.92  0.0  0.96  1.0
  Pd  Pd5  1  0.95  0.05  1.0  1.0

Cu Pd Pd Pd Pd Pd