data_BaNa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.39
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Hg
_chemical_formula_sum   'Ba1 Na2 Hg1'
_cell_volume   146.33
_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  0.81  0.0  0.37  1.0
  Na  Na2  1  0.5  0.0  0.95  1.0
  Na  Na3  1  0.92  0.19  0.58  1.0
  Hg  Hg1  1  0.81  0.19  0.21  1.0

data_BaNa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.39
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Hg
_chemical_formula_sum   'Ba1 Na2 Hg1'
_cell_volume   146.33
_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  0.81  0.0  0.37  1.0
  Na  Na1  1  0.5  0.0  0.95  1.0
  Na  Na2  1  0.92  0.19  0.58  1.0
  Hg  Hg3  1  0.81  0.19  0.21  1.0

Ba Na Na Hg