data_BaAl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   137.37
_cell_angle_beta   112.11
_cell_angle_gamma   83.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Pt
_chemical_formula_sum   'Ba1 Al2 Pt1'
_cell_volume   106.65
_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  Ba2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.13  0.42  1.0
  Al  Al1  1  0.04  0.0  0.76  1.0
  Pt  Pt3  1  0.0  0.0  0.18  1.0

data_BaAl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   67.89
_cell_angle_beta   68.68
_cell_angle_gamma   68.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Pt
_chemical_formula_sum   'Ba1 Al2 Pt1'
_cell_volume   106.65
_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
  Al  Al1  1  0.0  0.96  0.76  1.0
  Al  Al2  1  0.13  -0.0  0.29  1.0
  Pt  Pt3  1  0.0  -0.0  0.18  1.0

Ba Al Al Pt