data_Bi2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.93
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   93.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbPd
_chemical_formula_sum   'Bi2 Sb1 Pd1'
_cell_volume   102.52
_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
  Bi  Bi0  1  0.49  0.96  0.14  1.0
  Bi  Bi1  1  0.41  0.96  0.66  1.0
  Sb  Sb3  1  0.78  0.0  0.9  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Bi2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.93
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   93.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbPd
_chemical_formula_sum   'Bi2 Sb1 Pd1'
_cell_volume   102.52
_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
  Bi  Bi0  1  0.41  0.96  0.66  1.0
  Bi  Bi1  1  0.49  0.96  0.14  1.0
  Sb  Sb2  1  0.78  0.0  0.9  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Bi Bi Sb Pd
Bi Bi Sb Pd 0 3 o + o 0 3 + + o 0 2 o + - 1 2 o + o 2 3 + o + 