data_BaNa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   120.72
_cell_angle_beta   120.72
_cell_angle_gamma   88.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Ag
_chemical_formula_sum   'Ba1 Na2 Ag1'
_cell_volume   139.06
_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  Ba1  1  0.0  0.89  0.09  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.89  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0

data_BaNa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.84
_cell_angle_alpha   119.64
_cell_angle_beta   119.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Ag
_chemical_formula_sum   'Ba1 Na2 Ag1'
_cell_volume   139.06
_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  0.8  0.89  0.8  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.91  0.0  0.8  1.0
  Ag  Ag3  1  0.83  0.0  0.83  1.0

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