data_AgB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.83
_cell_angle_alpha   106.33
_cell_angle_beta   106.33
_cell_angle_gamma   43.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Pd
_chemical_formula_sum   'Ag1 B2 Pd1'
_cell_volume   55.18
_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  0.12  0.0  0.3  1.0
  B  B1  1  0.06  0.0  0.56  1.0
  B  B2  1  0.19  0.0  0.04  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   3.11
_cell_length_b   4.16
_cell_length_c   4.83
_cell_angle_alpha   106.33
_cell_angle_beta   90.0
_cell_angle_gamma   111.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB2Pd
_chemical_formula_sum   'Ag1 B2 Pd1'
_cell_volume   55.18
_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  0.88  0.7  1.0
  B  B1  1  0.0  0.81  0.96  1.0
  B  B2  1  0.0  0.94  0.44  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 o 0 1 o o o 0 2 o o o 2 3 o o o 