data_NaZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.01
_cell_angle_alpha   90.79
_cell_angle_beta   90.79
_cell_angle_gamma   90.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnHg2
_chemical_formula_sum   'Na1 Zn1 Hg2'
_cell_volume   91.13
_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  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.36  0.0  0.0  1.0
  Hg  Hg0  1  0.64  0.31  0.0  1.0
  Hg  Hg1  1  0.64  0.69  0.0  1.0

data_NaZnHg2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.01
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   NaZnHg2
_chemical_formula_sum   'Na1 Zn1 Hg2'
_cell_volume   91.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Zn  Zn1  1  0.0  0.0  0.64  1.0
  Hg  Hg2  2  0.0  0.31  0.36  1.0

Na Zn Hg Hg