data_NaTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   5.12
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   96.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2Hg
_chemical_formula_sum   'Na1 Tc2 Hg1'
_cell_volume   70.47
_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  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.52  0.56  0.85  1.0
  Tc  Tc3  1  0.7  0.56  0.16  1.0
  Hg  Hg0  1  0.11  0.0  0.5  1.0

data_NaTc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.03
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2Hg
_chemical_formula_sum   'Na1 Tc2 Hg1'
_cell_volume   70.47
_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
  Tc  Tc1  1  0.3  0.84  0.44  1.0
  Tc  Tc2  1  0.48  0.15  0.44  1.0
  Hg  Hg3  1  0.89  0.5  0.0  1.0

Na Tc Tc Hg