data_Ba2GaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   144.26
_cell_angle_beta   130.46
_cell_angle_gamma   62.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaPd
_chemical_formula_sum   'Ba2 Ga1 Pd1'
_cell_volume   126.84
_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  0.95  1.0
  Ba  Ba1  1  0.03  0.0  0.09  1.0
  Ga  Ga2  1  0.0  0.0  0.36  1.0
  Pd  Pd3  1  0.0  0.77  0.19  1.0

data_Ba2GaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.54
_cell_length_c   6.61
_cell_angle_alpha   114.77
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaPd
_chemical_formula_sum   'Ba2 Ga1 Pd1'
_cell_volume   126.84
_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  0.05  0.05  0.05  1.0
  Ba  Ba1  1  0.94  0.91  0.94  1.0
  Ga  Ga2  1  0.64  0.64  0.64  1.0
  Pd  Pd3  1  0.81  0.58  0.58  1.0

Ba Ba Ga Pd