data_Bi2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.94
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   51.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PPd
_chemical_formula_sum   'Bi2 P1 Pd1'
_cell_volume   97.4
_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  0.95  0.0  0.44  1.0
  Bi  Bi1  1  0.01  0.0  0.73  1.0
  P  P2  1  0.99  0.0  0.84  1.0
  Pd  Pd3  1  0.41  0.0  0.15  1.0

data_Bi2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.29
_cell_length_c   6.94
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PPd
_chemical_formula_sum   'Bi2 P1 Pd1'
_cell_volume   97.4
_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  0.0  0.05  0.56  1.0
  Bi  Bi1  1  0.0  0.99  0.27  1.0
  P  P2  1  0.0  0.01  0.16  1.0
  Pd  Pd3  1  0.0  0.59  0.85  1.0

Bi Bi P Pd