data_BaIn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   145.77
_cell_angle_beta   125.36
_cell_angle_gamma   66.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Pd
_chemical_formula_sum   'Ba1 In2 Pd1'
_cell_volume   112.93
_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  0.0  0.28  1.0
  In  In1  1  0.85  0.0  0.13  1.0
  In  In2  1  0.0  0.89  0.15  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_BaIn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.78
_cell_length_c   6.29
_cell_angle_alpha   117.32
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Pd
_chemical_formula_sum   'Ba1 In2 Pd1'
_cell_volume   112.93
_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  0.28  0.28  1.0
  In  In1  1  0.0  0.13  0.27  1.0
  In  In2  1  0.11  0.26  0.26  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ba In In Pd