data_BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   159.66
_cell_angle_beta   159.66
_cell_angle_gamma   28.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2
_chemical_formula_sum   'Bi2 Pd4'
_cell_volume   124.56
_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  0.0  0.78  0.89  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.78  0.0  0.32  1.0
  Pd  Pd3  1  0.0  0.0  0.36  1.0
  Pd  Pd4  1  0.78  0.0  0.46  1.0
  Pd  Pd5  1  0.0  0.0  0.21  1.0

data_BiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   10.1
_cell_angle_alpha   100.17
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2
_chemical_formula_sum   'Bi2 Pd4'
_cell_volume   124.56
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.89  0.78  0.89  1.0
  Pd  Pd2  1  0.54  0.0  0.32  1.0
  Pd  Pd3  1  0.64  0.0  0.64  1.0
  Pd  Pd4  1  0.68  0.0  0.46  1.0
  Pd  Pd5  1  0.79  0.0  0.79  1.0

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