data_NiBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.37
_cell_angle_alpha   114.67
_cell_angle_beta   114.67
_cell_angle_gamma   42.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiPd2
_chemical_formula_sum   'Ni1 Bi1 Pd2'
_cell_volume   66.75
_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
  Ni  Ni1  1  0.64  0.0  0.89  1.0
  Bi  Bi0  1  0.61  0.0  0.94  1.0
  Pd  Pd2  1  0.06  0.0  0.14  1.0
  Pd  Pd3  1  0.85  0.0  0.89  1.0

data_NiBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.37
_cell_length_c   5.04
_cell_angle_alpha   114.67
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiPd2
_chemical_formula_sum   'Ni1 Bi1 Pd2'
_cell_volume   66.75
_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
  Ni  Ni0  1  0.0  0.89  0.64  1.0
  Bi  Bi1  1  0.0  0.94  0.61  1.0
  Pd  Pd2  1  0.0  0.14  0.06  1.0
  Pd  Pd3  1  0.0  0.89  0.85  1.0

Ni Bi Pd Pd
Ni Bi Pd Pd 0 1 o o o 0 3 o o o 2 3 - o - 