data_Na2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.55
_cell_angle_alpha   105.82
_cell_angle_beta   105.82
_cell_angle_gamma   44.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiPd
_chemical_formula_sum   'Na2 Bi1 Pd1'
_cell_volume   98.82
_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
  Na  Na1  1  0.49  0.0  0.02  1.0
  Na  Na2  1  0.93  0.0  0.41  1.0
  Bi  Bi0  1  0.03  0.0  0.54  1.0
  Pd  Pd3  1  1.0  0.0  0.99  1.0

data_Na2BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.16
_cell_length_c   5.55
_cell_angle_alpha   105.82
_cell_angle_beta   90.0
_cell_angle_gamma   112.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiPd
_chemical_formula_sum   'Na2 Bi1 Pd1'
_cell_volume   98.82
_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
  Na  Na0  1  0.0  0.07  0.59  1.0
  Na  Na1  1  0.0  0.51  0.98  1.0
  Bi  Bi2  1  0.0  0.97  0.46  1.0
  Pd  Pd3  1  0.0  0.0  0.01  1.0

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