data_InBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.44
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiPd2
_chemical_formula_sum   'In1 Bi1 Pd2'
_cell_volume   79.53
_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
  In  In1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.78  0.0  0.44  1.0
  Pd  Pd2  1  0.63  0.72  0.49  1.0
  Pd  Pd3  1  0.29  0.72  0.4  1.0

data_InBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.44
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiPd2
_chemical_formula_sum   'In1 Bi1 Pd2'
_cell_volume   79.53
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.78  0.0  0.44  1.0
  Pd  Pd2  1  0.29  0.72  0.4  1.0
  Pd  Pd3  1  0.63  0.72  0.49  1.0

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