data_NaTaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaHg2
_chemical_formula_sum   'Na1 Ta1 Hg2'
_cell_volume   88.79
_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  0.34  1.0
  Ta  Ta3  1  0.75  0.0  0.52  1.0
  Hg  Hg0  1  0.0  0.0  0.15  1.0
  Hg  Hg1  1  0.75  0.0  0.97  1.0

data_NaTaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaHg2
_chemical_formula_sum   'Na1 Ta1 Hg2'
_cell_volume   88.79
_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  0.34  1.0
  Ta  Ta1  1  0.75  0.0  0.52  1.0
  Hg  Hg2  1  0.0  0.0  0.15  1.0
  Hg  Hg3  1  0.75  0.0  0.97  1.0

Na Ta Hg Hg