data_Ba2NaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaPt
_chemical_formula_sum   'Ba2 Na1 Pt1'
_cell_volume   153.74
_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  0.78  0.0  0.7  1.0
  Ba  Ba1  1  0.78  0.0  0.07  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.89  1.0

data_Ba2NaPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2NaPt
_chemical_formula_sum   'Ba2 Na1 Pt1'
_cell_volume   153.76
_cell_formula_units_Z   1
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  1  0.78  0.0  0.07  1.0
  Ba  Ba1  1  0.78  0.0  0.7  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.89  1.0

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