data_Ba2MgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   26.73
_cell_angle_beta   26.73
_cell_angle_gamma   26.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgPd
_chemical_formula_sum   'Ba2 Mg1 Pd1'
_cell_volume   166.72
_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  0.73  1.0
  Ba  Ba1  1  0.0  0.0  0.53  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.13  1.0

data_Ba2MgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.83
_cell_length_b   4.52
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2MgPd
_chemical_formula_sum   'Ba4 Mg2 Pd2'
_cell_volume   333.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Ba  Ba1  2  0.0  0.0  0.47  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.87  1.0

Ba Ba Mg Pd