data_NaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   132.1
_cell_angle_beta   132.1
_cell_angle_gamma   70.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg
_chemical_formula_sum   'Na2 Hg2'
_cell_volume   103.06
_cell_formula_units_Z   2
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  0.0  0.34  0.36  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.34  0.0  0.36  1.0
  Hg  Hg1  1  0.0  0.0  0.72  1.0

data_NaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.76
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg
_chemical_formula_sum   'Na2 Hg2'
_cell_volume   103.06
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Na  Na1  1  0.02  0.36  0.02  1.0
  Hg  Hg2  1  0.36  0.02  0.02  1.0
  Hg  Hg3  1  0.72  0.72  0.72  1.0

Na Na Hg Hg