data_Na2LaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   6.11
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   92.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaHg
_chemical_formula_sum   'Na2 La1 Hg1'
_cell_volume   123.61
_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
  Na  Na2  1  0.88  0.05  0.17  1.0
  Na  Na3  1  0.41  0.05  0.51  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.65  0.0  0.84  1.0

data_Na2LaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.68
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaHg
_chemical_formula_sum   'Na2 La1 Hg1'
_cell_volume   123.61
_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
  Na  Na0  1  0.12  0.83  0.95  1.0
  Na  Na1  1  0.59  0.49  0.95  1.0
  La  La2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.35  0.16  0.0  1.0

Na Na La Hg