data_ZnBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   121.64
_cell_angle_beta   121.64
_cell_angle_gamma   87.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBPd2
_chemical_formula_sum   'Zn1 B1 Pd2'
_cell_volume   50.83
_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
  Zn  Zn3  1  0.0  0.0  0.04  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.05  0.0  0.52  1.0
  Pd  Pd2  1  0.0  0.05  0.52  1.0

data_ZnBPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   133.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBPd2
_chemical_formula_sum   'Zn2 B2 Pd4'
_cell_volume   101.66
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.04  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.48  0.48  0.47  1.0

Zn B Pd Pd