data_ReTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcHg
_chemical_formula_sum   'Re1 Tc1 Hg1'
_cell_volume   50.8
_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  Re1  1  0.0  0.55  0.34  1.0
  Tc  Tc2  1  0.0  0.0  0.66  1.0
  Hg  Hg0  1  0.21  0.28  1.0  1.0

data_ReTcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcHg
_chemical_formula_sum   'Re1 Tc1 Hg1'
_cell_volume   50.8
_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  Re0  1  0.34  0.0  0.55  1.0
  Tc  Tc1  1  0.66  0.0  0.0  1.0
  Hg  Hg2  1  1.0  0.21  0.28  1.0

Re Tc Hg