data_Ba3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   4.67
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Pt
_chemical_formula_sum   'Ba3 Pt1'
_cell_volume   178.07
_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  0.38  0.34  0.14  1.0
  Ba  Ba1  1  0.58  0.34  0.34  1.0
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.93  0.0  0.74  1.0

data_Ba3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   5.09
_cell_length_c   7.78
_cell_angle_alpha   105.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Pt
_chemical_formula_sum   'Ba3 Pt1'
_cell_volume   178.07
_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
  Ba  Ba1  1  0.66  0.42  0.66  1.0
  Ba  Ba2  1  0.66  0.62  0.86  1.0
  Pt  Pt3  1  0.0  0.07  0.26  1.0

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