data_BiPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Pt
_chemical_formula_sum   'Bi1 Pd2 Pt1'
_cell_volume   71.97
_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  0.89  0.0  0.0  1.0
  Pd  Pd1  1  0.44  0.28  0.81  1.0
  Pd  Pd2  1  0.44  0.72  0.81  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_BiPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   99.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Pt
_chemical_formula_sum   'Bi1 Pd2 Pt1'
_cell_volume   71.97
_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  0.89  0.0  1.0
  Pd  Pd1  1  0.81  0.44  0.28  1.0
  Pd  Pd2  1  0.81  0.44  0.72  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Bi Pd Pd Pt
Bi Pd Pd Pt 0 3 + o o 0 2 o - - 1 3 o o + 1 2 o o o 