data_Ba2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   139.4
_cell_angle_beta   139.4
_cell_angle_gamma   58.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PdPt
_chemical_formula_sum   'Ba2 Pd1 Pt1'
_cell_volume   117.66
_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  0.7  1.0
  Ba  Ba1  1  0.0  0.27  0.85  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.27  0.0  0.85  1.0

data_Ba2PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.55
_cell_angle_alpha   110.3
_cell_angle_beta   110.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PdPt
_chemical_formula_sum   'Ba2 Pd1 Pt1'
_cell_volume   117.66
_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  0.58  0.85  0.58  1.0
  Ba  Ba1  1  0.7  0.7  0.7  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.85  0.58  0.58  1.0

Ba Ba Pd Pt