data_AgB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.06
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Pd
_chemical_formula_sum   'Ag1 B2 Pd1'
_cell_volume   49.28
_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
  Ag  Ag0  1  0.0  0.0  0.73  1.0
  B  B1  1  0.47  0.53  0.58  1.0
  B  B2  1  0.47  0.53  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_AgB2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.06
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Pd
_chemical_formula_sum   'Ag1 B2 Pd1'
_cell_volume   49.28
_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
  Ag  Ag0  1  0.0  0.0  0.73  1.0
  B  B1  1  0.47  0.53  0.58  1.0
  B  B2  1  0.47  0.53  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ag B B Pd
Ag B B Pd 0 3 o o + 1 2 o o o 