data_NaVHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.57
_cell_angle_alpha   97.79
_cell_angle_beta   97.79
_cell_angle_gamma   37.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVHg2
_chemical_formula_sum   'Na1 V1 Hg2'
_cell_volume   93.15
_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
  V  V3  1  0.12  0.0  0.25  1.0
  Hg  Hg0  1  0.53  0.0  0.65  1.0
  Hg  Hg1  1  0.71  0.0  0.85  1.0

data_NaVHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.85
_cell_length_c   6.57
_cell_angle_alpha   97.79
_cell_angle_beta   90.0
_cell_angle_gamma   108.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVHg2
_chemical_formula_sum   'Na1 V1 Hg2'
_cell_volume   93.15
_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
  V  V1  1  0.0  0.88  0.75  1.0
  Hg  Hg2  1  0.0  0.29  0.15  1.0
  Hg  Hg3  1  0.0  0.47  0.35  1.0

Na V Hg Hg