data_Ba2InPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   41.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InPd
_chemical_formula_sum   'Ba2 In1 Pd1'
_cell_volume   150.12
_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  0.49  0.0  0.33  1.0
  Ba  Ba1  1  0.0  0.0  0.79  1.0
  In  In2  1  0.49  0.0  0.43  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0

data_Ba2InPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.97
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   110.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InPd
_chemical_formula_sum   'Ba2 In1 Pd1'
_cell_volume   150.12
_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  0.21  0.0  0.21  1.0
  Ba  Ba1  1  0.67  0.49  0.67  1.0
  In  In2  1  0.57  0.49  0.57  1.0
  Pd  Pd3  1  0.24  0.0  0.24  1.0

Ba Ba In Pd
Ba Ba In Pd 0 2 o o o 1 3 o o o 