data_Bi3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.09
_cell_length_b   12.09
_cell_length_c   12.09
_cell_angle_alpha   162.91
_cell_angle_beta   162.91
_cell_angle_gamma   24.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Pd4
_chemical_formula_sum   'Bi3 Pd4'
_cell_volume   152.73
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.12  1.0
  Bi  Bi2  1  0.0  0.0  0.52  1.0
  Pd  Pd3  1  0.0  0.0  0.68  1.0
  Pd  Pd4  1  0.0  0.0  0.97  1.0
  Pd  Pd5  1  0.0  0.0  0.31  1.0
  Pd  Pd6  1  0.0  0.0  0.34  1.0

data_Bi3Pd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.09
_cell_angle_alpha   90.0
_cell_angle_beta   102.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi3Pd4
_chemical_formula_sum   'Bi6 Pd8'
_cell_volume   305.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.48  1.0
  Bi  Bi2  2  0.0  0.0  0.88  1.0
  Pd  Pd3  2  0.0  0.0  0.03  1.0
  Pd  Pd4  2  0.0  0.0  0.32  1.0
  Pd  Pd5  2  0.0  0.0  0.66  1.0
  Pd  Pd6  2  0.0  0.0  0.69  1.0

Bi Bi Bi Pd Pd Pd Pd
Bi Bi Bi Pd Pd Pd Pd 0 4 o o - 0 1 o o o 2 6 o o o 2 3 o o o 5 6 o o o 