data_BaInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.21
_cell_angle_alpha   109.09
_cell_angle_beta   109.09
_cell_angle_gamma   57.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPd2
_chemical_formula_sum   'Ba1 In1 Pd2'
_cell_volume   106.99
_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
  Ba  Ba0  1  0.9  0.0  0.92  1.0
  In  In1  1  0.54  0.0  0.54  1.0
  Pd  Pd2  1  0.01  0.0  0.01  1.0
  Pd  Pd3  1  0.39  0.0  0.18  1.0

data_BaInPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.69
_cell_length_c   6.21
_cell_angle_alpha   109.09
_cell_angle_beta   90.0
_cell_angle_gamma   118.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPd2
_chemical_formula_sum   'Ba1 In1 Pd2'
_cell_volume   106.99
_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
  Ba  Ba0  1  0.0  0.1  0.08  1.0
  In  In1  1  0.0  0.46  0.46  1.0
  Pd  Pd2  1  0.0  0.61  0.82  1.0
  Pd  Pd3  1  0.0  0.99  0.99  1.0

Ba In Pd Pd