data_CuBPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.92
_cell_length_c   2.72
_cell_angle_alpha   74.28
_cell_angle_beta   73.65
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBPd
_chemical_formula_sum   'Cu1 B1 Pd1'
_cell_volume   33.66
_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  0.91  0.95  0.27  1.0
  B  B0  1  0.91  0.95  0.02  1.0
  Pd  Pd2  1  0.91  0.95  0.78  1.0

data_CuBPd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.72
_cell_length_b   9.08
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CuBPd
_chemical_formula_sum   'Cu2 B2 Pd2'
_cell_volume   67.33
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.18  1.0
  B  B1  2  0.0  0.0  0.93  1.0
  Pd  Pd2  2  0.0  0.0  0.69  1.0

Cu B Pd