data_BaRe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   153.67
_cell_angle_beta   134.25
_cell_angle_gamma   53.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Pd
_chemical_formula_sum   'Ba1 Re2 Pd1'
_cell_volume   79.5
_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  0.63  1.0
  Re  Re2  1  0.0  0.45  0.15  1.0
  Re  Re3  1  0.44  0.0  0.49  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_BaRe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.91
_cell_length_c   6.31
_cell_angle_alpha   112.88
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Pd
_chemical_formula_sum   'Ba1 Re2 Pd1'
_cell_volume   79.5
_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  0.63  0.63  1.0
  Re  Re1  1  0.0  0.49  0.05  1.0
  Re  Re2  1  0.55  0.7  0.7  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ba Re Re Pd