data_Cu2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPd
_chemical_formula_sum   'Cu2 B1 Pd1'
_cell_volume   47.73
_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  0.17  0.83  0.4  1.0
  Cu  Cu2  1  0.17  0.17  0.4  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.33  0.0  0.0  1.0

data_Cu2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   114.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BPd
_chemical_formula_sum   'Cu2 B1 Pd1'
_cell_volume   47.73
_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  0.4  0.17  0.17  1.0
  Cu  Cu1  1  0.4  0.17  0.83  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.33  0.0  1.0

Cu Cu B Pd