data_NaZr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.91
_cell_angle_alpha   113.26
_cell_angle_beta   113.26
_cell_angle_gamma   30.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Hg
_chemical_formula_sum   'Na1 Zr2 Hg1'
_cell_volume   93.41
_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  1.0  0.0  0.58  1.0
  Zr  Zr2  1  0.01  0.0  0.35  1.0
  Zr  Zr3  1  0.17  0.0  0.99  1.0
  Hg  Hg0  1  0.06  0.0  0.17  1.0

data_NaZr2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.83
_cell_length_c   5.91
_cell_angle_alpha   113.26
_cell_angle_beta   90.0
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Hg
_chemical_formula_sum   'Na1 Zr2 Hg1'
_cell_volume   93.41
_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  0.42  1.0
  Zr  Zr1  1  0.0  0.83  0.01  1.0
  Zr  Zr2  1  0.0  0.99  0.65  1.0
  Hg  Hg3  1  0.0  0.94  0.83  1.0

Na Zr Zr Hg