data_Bi5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   8.18
_cell_angle_alpha   108.29
_cell_angle_beta   108.29
_cell_angle_gamma   28.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Pd
_chemical_formula_sum   'Bi5 Pd1'
_cell_volume   177.32
_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  0.05  0.0  0.62  1.0
  Bi  Bi1  1  0.37  0.0  0.83  1.0
  Bi  Bi2  1  0.35  0.0  0.94  1.0
  Bi  Bi3  1  0.57  0.0  0.38  1.0
  Bi  Bi4  1  0.6  0.0  1.0  1.0
  Pd  Pd5  1  0.79  0.0  0.76  1.0

data_Bi5Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.89
_cell_length_c   8.18
_cell_angle_alpha   108.29
_cell_angle_beta   90.0
_cell_angle_gamma   104.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Pd
_chemical_formula_sum   'Bi5 Pd1'
_cell_volume   177.32
_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  0.4  0.0  1.0
  Bi  Bi1  1  0.0  0.43  0.62  1.0
  Bi  Bi2  1  0.0  0.63  0.17  1.0
  Bi  Bi3  1  0.0  0.65  0.06  1.0
  Bi  Bi4  1  0.0  0.95  0.38  1.0
  Pd  Pd5  1  0.0  0.21  0.24  1.0

Bi Bi Bi Bi Bi Pd
Bi Bi Bi Bi Bi Pd 0 5 - o o 0 2 o o o 0 1 o o o 0 3 - o o 1 2 o o o 1 4 o o o 2 3 o o + 2 4 o o o 3 3 + - o 3 4 o o - 3 5 o o o 4 5 o o o 