data_ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   6.92
_cell_angle_alpha   103.57
_cell_angle_beta   103.57
_cell_angle_gamma   29.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHg
_chemical_formula_sum   'Re3 Hg3'
_cell_volume   110.7
_cell_formula_units_Z   3
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  Re3  1  0.55  0.0  0.54  1.0
  Re  Re4  1  0.64  0.0  0.37  1.0
  Re  Re5  1  0.25  0.0  0.31  1.0
  Hg  Hg0  1  0.89  0.0  0.71  1.0
  Hg  Hg1  1  0.73  0.0  0.25  1.0
  Hg  Hg2  1  0.6  0.0  0.54  1.0

data_ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.76
_cell_length_c   6.92
_cell_angle_alpha   103.57
_cell_angle_beta   90.0
_cell_angle_gamma   104.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHg
_chemical_formula_sum   'Re3 Hg3'
_cell_volume   110.7
_cell_formula_units_Z   3
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  0.0  0.36  0.63  1.0
  Re  Re1  1  0.0  0.45  0.46  1.0
  Re  Re2  1  0.0  0.75  0.69  1.0
  Hg  Hg3  1  0.0  0.11  0.29  1.0
  Hg  Hg4  1  0.0  0.27  0.75  1.0
  Hg  Hg5  1  0.0  0.4  0.46  1.0

Re Re Re Hg Hg Hg