data_BaOsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   146.27
_cell_angle_beta   146.27
_cell_angle_gamma   48.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsPd
_chemical_formula_sum   'Ba1 Os1 Pd1'
_cell_volume   72.16
_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  0.01  1.0
  Os  Os1  1  0.0  0.0  0.17  1.0
  Pd  Pd2  1  0.0  0.0  0.08  1.0

data_BaOsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaOsPd
_chemical_formula_sum   'Ba2 Os2 Pd2'
_cell_volume   144.32
_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  0.99  1.0
  Os  Os1  2  0.0  0.0  0.83  1.0
  Pd  Pd2  2  0.0  0.0  0.92  1.0

Ba Os Pd