data_BaGaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   132.78
_cell_angle_beta   112.13
_cell_angle_gamma   86.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaPd2
_chemical_formula_sum   'Ba1 Ga1 Pd2'
_cell_volume   98.26
_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  0.87  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.97  0.47  1.0
  Pd  Pd3  1  0.13  0.0  0.4  1.0

data_BaGaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   67.87
_cell_angle_beta   66.39
_cell_angle_gamma   66.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaPd2
_chemical_formula_sum   'Ba1 Ga1 Pd2'
_cell_volume   98.26
_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  0.87  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.87  0.4  1.0
  Pd  Pd3  1  0.97  -0.0  0.49  1.0

Ba Ga Pd Pd