data_NaTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   7.76
_cell_angle_alpha   159.39
_cell_angle_beta   159.39
_cell_angle_gamma   29.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcHg
_chemical_formula_sum   'Na1 Tc1 Hg1'
_cell_volume   57.98
_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  0.97  1.0
  Tc  Tc2  1  0.0  0.0  0.96  1.0
  Hg  Hg0  1  0.0  0.0  0.1  1.0

data_NaTcHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTcHg
_chemical_formula_sum   'Na2 Tc2 Hg2'
_cell_volume   115.95
_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  2  0.47  0.5  0.97  1.0
  Tc  Tc1  2  0.46  0.5  0.96  1.0
  Hg  Hg2  2  0.1  0.0  0.1  1.0

Na Tc Hg