data_BaNa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.71
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Bi
_chemical_formula_sum   'Ba1 Na2 Bi1'
_cell_volume   153.92
_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  0.64  1.0
  Na  Na2  1  0.0  0.0  0.23  1.0
  Na  Na3  1  0.93  0.35  0.62  1.0
  Bi  Bi1  1  0.93  0.35  0.62  1.0

data_BaNa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.71
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Bi
_chemical_formula_sum   'Ba1 Na2 Bi1'
_cell_volume   153.92
_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  0.64  1.0
  Na  Na1  1  0.0  0.0  0.23  1.0
  Na  Na2  1  0.93  0.35  0.62  1.0
  Bi  Bi3  1  0.93  0.35  0.62  1.0

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