data_NaHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgSb
_chemical_formula_sum   'Na1 Hg1 Sb1'
_cell_volume   81.04
_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  Na1  1  0.0  0.0  0.49  1.0
  Hg  Hg0  1  0.75  0.01  0.1  1.0
  Sb  Sb2  1  0.0  0.02  0.07  1.0

data_NaHgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgSb
_chemical_formula_sum   'Na1 Hg1 Sb1'
_cell_volume   81.04
_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  0.0  0.0  0.49  1.0
  Hg  Hg1  1  0.75  0.01  0.1  1.0
  Sb  Sb2  1  0.0  0.02  0.07  1.0

Na Hg Sb
Na Hg Sb 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 1 - o o 0 1 o o o 1 2 + o o 