data_Bi3Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Pd5
_chemical_formula_sum   'Bi3 Pd5'
_cell_volume   159.07
_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  0.73  0.0  0.0  1.0
  Bi  Bi1  1  0.73  0.26  0.34  1.0
  Bi  Bi2  1  0.73  0.74  0.34  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pd  Pd4  1  0.86  0.27  0.0  1.0
  Pd  Pd5  1  0.86  0.73  0.0  1.0
  Pd  Pd6  1  0.21  0.0  0.34  1.0
  Pd  Pd7  1  0.25  0.0  0.34  1.0

data_Bi3Pd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Pd5
_chemical_formula_sum   'Bi3 Pd5'
_cell_volume   159.07
_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  0.73  0.0  1.0
  Bi  Bi1  1  0.34  0.73  0.26  1.0
  Bi  Bi2  1  0.34  0.73  0.74  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pd  Pd4  1  0.0  0.86  0.27  1.0
  Pd  Pd5  1  0.0  0.86  0.73  1.0
  Pd  Pd6  1  0.34  0.21  0.0  1.0
  Pd  Pd7  1  0.34  0.25  0.0  1.0

Bi Bi Bi Pd Pd Pd Pd Pd