data_ZnB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.29
_cell_angle_alpha   105.28
_cell_angle_beta   105.28
_cell_angle_gamma   42.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2Pd
_chemical_formula_sum   'Zn1 B2 Pd1'
_cell_volume   51.62
_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  0.0  1.0
  B  B0  1  0.18  0.0  0.03  1.0
  B  B1  1  0.64  0.0  0.08  1.0
  Pd  Pd2  1  0.41  0.0  0.06  1.0

data_ZnB2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.29
_cell_length_c   4.31
_cell_angle_alpha   105.28
_cell_angle_beta   111.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2Pd
_chemical_formula_sum   'Zn1 B2 Pd1'
_cell_volume   51.62
_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  Zn0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.03  0.18  1.0
  B  B2  1  0.0  0.08  0.64  1.0
  Pd  Pd3  1  0.0  0.06  0.41  1.0

Zn B B Pd
Zn B B Pd 0 1 o o o 1 3 o o o 2 3 o o o 