data_Ba2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   141.62
_cell_angle_beta   134.64
_cell_angle_gamma   60.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RePd
_chemical_formula_sum   'Ba2 Re1 Pd1'
_cell_volume   131.31
_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  0.41  1.0
  Ba  Ba1  1  0.2  0.0  0.09  1.0
  Re  Re3  1  0.0  0.58  0.94  1.0
  Pd  Pd2  1  0.0  0.0  0.66  1.0

data_Ba2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   5.17
_cell_length_c   6.7
_cell_angle_alpha   112.68
_cell_angle_beta   109.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RePd
_chemical_formula_sum   'Ba2 Re1 Pd1'
_cell_volume   131.31
_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  0.09  0.89  1.0
  Ba  Ba1  1  0.0  0.41  0.41  1.0
  Re  Re2  1  0.42  0.35  0.35  1.0
  Pd  Pd3  1  0.0  0.66  0.66  1.0

Ba Ba Re Pd