data_Ba2HfPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   21.99
_cell_angle_beta   21.99
_cell_angle_gamma   21.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfPt
_chemical_formula_sum   'Ba2 Hf1 Pt1'
_cell_volume   141.21
_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  0.48  1.0
  Ba  Ba1  1  0.0  0.0  0.17  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.33  1.0

data_Ba2HfPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   3.99
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   102.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2HfPt
_chemical_formula_sum   'Ba4 Hf2 Pt2'
_cell_volume   282.43
_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  0.52  1.0
  Ba  Ba1  2  -0.0  0.0  0.83  1.0
  Hf  Hf2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  -0.0  0.0  0.67  1.0

Ba Ba Hf Pt