data_Na2HfHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   141.02
_cell_angle_beta   141.02
_cell_angle_gamma   56.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfHg
_chemical_formula_sum   'Na2 Hf1 Hg1'
_cell_volume   97.74
_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  0.1  0.77  1.0
  Na  Na3  1  0.1  0.0  0.77  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.55  1.0

data_Na2HfHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   118.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2HfHg
_chemical_formula_sum   'Na4 Hf2 Hg2'
_cell_volume   195.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.05  0.05  0.33  1.0
  Hf  Hf1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.0  0.0  0.45  1.0

Na Na Hf Hg