data_NaZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   131.36
_cell_angle_beta   131.36
_cell_angle_gamma   71.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnHg2
_chemical_formula_sum   'Na1 Zn1 Hg2'
_cell_volume   93.02
_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  0.28  0.0  0.25  1.0
  Hg  Hg0  1  0.0  0.0  0.49  1.0
  Hg  Hg1  1  0.0  0.28  0.25  1.0

data_NaZnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.53
_cell_angle_alpha   114.32
_cell_angle_beta   114.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnHg2
_chemical_formula_sum   'Na1 Zn1 Hg2'
_cell_volume   93.02
_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  0.0  1.0
  Zn  Zn1  1  0.75  0.0  0.03  1.0
  Hg  Hg2  1  0.03  0.28  0.03  1.0
  Hg  Hg3  1  0.51  0.0  0.51  1.0

Na Zn Hg Hg
Na Zn Hg Hg 0 3 o o o 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 2 3 o o o 