data_BiPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.01
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   42.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Au
_chemical_formula_sum   'Bi1 Pd2 Au1'
_cell_volume   76.84
_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  Bi1  1  0.86  0.0  0.41  1.0
  Pd  Pd2  1  0.25  0.0  0.63  1.0
  Pd  Pd3  1  0.47  0.0  0.18  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_BiPd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.87
_cell_length_c   5.01
_cell_angle_alpha   104.83
_cell_angle_beta   90.0
_cell_angle_gamma   111.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Au
_chemical_formula_sum   'Bi1 Pd2 Au1'
_cell_volume   76.84
_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  0.14  0.59  1.0
  Pd  Pd1  1  0.0  0.53  0.82  1.0
  Pd  Pd2  1  0.0  0.75  0.37  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Bi Pd Pd Au
Bi Pd Pd Au 0 2 o o o 0 3 + o o 0 1 + o o 1 3 o o + 2 3 o o o 