data_Bi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   5.73
_cell_angle_alpha   101.83
_cell_angle_beta   101.83
_cell_angle_gamma   37.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Pd
_chemical_formula_sum   'Bi4 Pd2'
_cell_volume   156.88
_cell_formula_units_Z   2
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  0.62  0.0  0.77  1.0
  Bi  Bi1  1  0.08  0.0  0.82  1.0
  Bi  Bi2  1  0.45  0.0  0.45  1.0
  Bi  Bi3  1  0.25  0.0  0.15  1.0
  Pd  Pd4  1  0.89  0.0  0.64  1.0
  Pd  Pd5  1  0.81  0.0  0.95  1.0

data_Bi2Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.34
_cell_length_b   5.73
_cell_length_c   6.82
_cell_angle_alpha   101.83
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Bi2Pd
_chemical_formula_sum   'Bi4 Pd2'
_cell_volume   156.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.15  0.1  1.0
  Bi  Bi1  2  0.0  0.48  0.27  1.0
  Pd  Pd2  2  0.0  0.35  0.54  1.0

Bi Bi Bi Bi Pd Pd