data_ReTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.62
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcHg2
_chemical_formula_sum   'Re1 Tc1 Hg2'
_cell_volume   74.16
_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
  Re  Re2  1  0.96  0.81  0.78  1.0
  Tc  Tc3  1  0.25  0.0  0.91  1.0
  Hg  Hg0  1  0.71  0.81  0.79  1.0
  Hg  Hg1  1  0.46  0.0  0.91  1.0

data_ReTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.62
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcHg2
_chemical_formula_sum   'Re1 Tc1 Hg2'
_cell_volume   74.16
_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
  Tc  Tc0  1  0.25  0.0  0.91  1.0
  Re  Re1  1  0.96  0.81  0.78  1.0
  Hg  Hg2  1  0.46  0.0  0.91  1.0
  Hg  Hg3  1  0.71  0.81  0.79  1.0

Re Tc Hg Hg