data_NaGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.98
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   93.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaHg2
_chemical_formula_sum   'Na1 Ga1 Hg2'
_cell_volume   96.03
_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  Na3  1  0.4  0.0  0.92  1.0
  Ga  Ga0  1  0.95  0.49  0.5  1.0
  Hg  Hg1  1  0.78  0.0  0.8  1.0
  Hg  Hg2  1  0.99  0.49  0.64  1.0

data_NaGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.98
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   93.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaHg2
_chemical_formula_sum   'Na1 Ga1 Hg2'
_cell_volume   96.03
_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  0.4  0.0  0.92  1.0
  Ga  Ga1  1  0.95  0.49  0.5  1.0
  Hg  Hg2  1  0.78  0.0  0.8  1.0
  Hg  Hg3  1  0.99  0.49  0.64  1.0

Na Ga Hg Hg