data_BaNa2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.6
_cell_angle_alpha   111.21
_cell_angle_beta   111.21
_cell_angle_gamma   58.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Pt
_chemical_formula_sum   'Ba1 Na2 Pt1'
_cell_volume   124.19
_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  0.07  0.0  0.17  1.0
  Na  Na1  1  0.99  0.0  0.71  1.0
  Na  Na2  1  0.78  0.0  0.75  1.0
  Pt  Pt3  1  0.94  0.0  0.38  1.0

data_BaNa2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.92
_cell_length_c   6.6
_cell_angle_alpha   111.21
_cell_angle_beta   90.0
_cell_angle_gamma   119.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Pt
_chemical_formula_sum   'Ba1 Na2 Pt1'
_cell_volume   124.19
_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  0.93  0.83  1.0
  Na  Na1  1  0.0  0.01  0.29  1.0
  Na  Na2  1  0.0  0.22  0.25  1.0
  Pt  Pt3  1  0.0  0.06  0.62  1.0

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