data_BaPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   19.0
_cell_angle_beta   19.0
_cell_angle_gamma   19.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPd2Pt
_chemical_formula_sum   'Ba1 Pd2 Pt1'
_cell_volume   82.86
_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  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.59  1.0
  Pd  Pd2  1  0.0  0.0  0.79  1.0
  Pt  Pt3  1  0.0  0.0  0.19  1.0

data_BaPd2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaPd2Pt
_chemical_formula_sum   'Ba2 Pd4 Pt2'
_cell_volume   165.72
_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  0.0  1.0
  Pd  Pd1  2  -0.0  0.0  0.41  1.0
  Pd  Pd2  2  -0.0  0.0  0.21  1.0
  Pt  Pt3  2  -0.0  0.0  0.81  1.0

Ba Pd Pd Pt
Ba Pd Pd Pt 0 2 o o - 0 3 o o o 1 2 o o o 