data_BaPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   7.18
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt3
_chemical_formula_sum   'Ba4 Pt12'
_cell_volume   362.96
_cell_formula_units_Z   4
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  0.87  0.39  0.89  1.0
  Ba  Ba1  1  0.27  0.8  0.77  1.0
  Ba  Ba2  1  0.82  0.39  0.48  1.0
  Ba  Ba3  1  0.22  0.8  0.35  1.0
  Pt  Pt4  1  0.94  0.8  0.23  1.0
  Pt  Pt5  1  0.84  0.73  0.66  1.0
  Pt  Pt6  1  0.84  0.04  0.66  1.0
  Pt  Pt7  1  0.21  0.14  0.78  1.0
  Pt  Pt8  1  0.21  0.45  0.78  1.0
  Pt  Pt9  1  0.2  0.39  0.11  1.0
  Pt  Pt10  1  0.89  0.8  0.13  1.0
  Pt  Pt11  1  0.89  0.73  0.46  1.0
  Pt  Pt12  1  0.89  0.04  0.46  1.0
  Pt  Pt13  1  0.25  0.14  0.58  1.0
  Pt  Pt14  1  0.25  0.45  0.58  1.0
  Pt  Pt15  1  0.16  0.39  0.01  1.0

data_BaPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.24
_cell_length_b   7.18
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaPt3
_chemical_formula_sum   'Ba4 Pt12'
_cell_volume   362.96
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.2  0.72  1.0
  Ba  Ba1  2  0.27  0.8  0.32  1.0
  Pt  Pt2  2  0.04  0.14  0.29  1.0
  Pt  Pt3  2  0.04  0.45  0.29  1.0
  Pt  Pt4  2  0.16  0.55  0.66  1.0
  Pt  Pt5  2  0.16  0.86  0.66  1.0
  Pt  Pt6  2  0.39  0.8  0.61  1.0
  Pt  Pt7  2  0.49  0.8  0.66  1.0

Ba Ba Ba Ba Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Ba Ba Ba Ba Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 6 o o o 0 5 o o o 0 2 o o o 0 8 + o o 0 15 + o + 0 9 + o + 1 14 o o o 1 8 o o o 1 13 o + o 1 3 o o o 1 7 o + o 2 12 o o o 2 6 o o o 2 11 o o o 2 5 o o o 3 11 - o o 3 10 - o o 3 4 - o o 3 14 o o o 3 13 o + o 4 10 o o o 5 11 o o o 6 12 o o o 7 13 o o o 8 14 o o o 9 15 o o o 