data_BaNa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   6.52
_cell_angle_alpha   104.66
_cell_angle_beta   104.66
_cell_angle_gamma   38.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Fe
_chemical_formula_sum   'Ba1 Na2 Fe1'
_cell_volume   117.81
_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  0.04  0.0  0.66  1.0
  Na  Na2  1  0.31  0.0  0.06  1.0
  Na  Na3  1  0.29  0.0  0.04  1.0
  Fe  Fe1  1  0.24  0.0  0.67  1.0

data_BaNa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.48
_cell_length_c   6.52
_cell_angle_alpha   104.66
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Fe
_chemical_formula_sum   'Ba1 Na2 Fe1'
_cell_volume   117.81
_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  0.96  0.34  1.0
  Na  Na1  1  0.0  0.69  0.94  1.0
  Na  Na2  1  0.0  0.71  0.96  1.0
  Fe  Fe3  1  0.0  0.76  0.33  1.0

Ba Na Na Fe
Ba Na Na Fe 0 3 o o o 1 2 o o o 