data_BiPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   153.54
_cell_angle_beta   153.54
_cell_angle_gamma   37.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd3
_chemical_formula_sum   'Bi2 Pd6'
_cell_volume   142.5
_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  0.68  1.0
  Bi  Bi1  1  0.0  0.0  0.27  1.0
  Pd  Pd2  1  0.0  0.05  0.0  1.0
  Pd  Pd3  1  0.05  0.0  0.0  1.0
  Pd  Pd4  1  0.05  0.0  0.24  1.0
  Pd  Pd5  1  0.0  0.05  0.24  1.0
  Pd  Pd6  1  0.0  0.0  0.94  1.0
  Pd  Pd7  1  0.0  0.0  0.01  1.0

data_BiPd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPd3
_chemical_formula_sum   'Bi4 Pd12'
_cell_volume   284.99
_cell_formula_units_Z   4
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  0.18  0.5  0.68  1.0
  Bi  Bi1  2  0.27  0.0  0.27  1.0
  Pd  Pd2  4  0.21  0.03  0.19  1.0
  Pd  Pd3  4  0.47  0.47  0.95  1.0
  Pd  Pd4  2  0.01  0.0  0.01  1.0
  Pd  Pd5  2  0.44  0.5  0.94  1.0

Bi Bi Pd Pd Pd Pd Pd Pd
Bi Bi Pd Pd Pd Pd Pd Pd 0 2 o o + 0 3 o o + 0 6 o o o 1 5 o o o 1 4 o o o 2 6 o o - 2 7 o o o 3 6 o o - 3 7 o o o 4 5 o o o 6 7 o o + 