data_Re2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   104.3
_cell_angle_beta   104.3
_cell_angle_gamma   120.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Hg
_chemical_formula_sum   'Re4 Hg2'
_cell_volume   107.76
_cell_formula_units_Z   2
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  0.4  0.81  0.0  1.0
  Re  Re3  1  0.4  0.19  0.6  1.0
  Re  Re4  1  0.81  0.03  0.0  1.0
  Re  Re5  1  0.81  0.4  0.6  1.0
  Hg  Hg0  1  0.0  0.0  0.3  1.0
  Hg  Hg1  1  0.0  0.0  0.91  1.0

data_Re2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   75.7
_cell_angle_beta   60.2
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Hg
_chemical_formula_sum   'Re4 Hg2'
_cell_volume   107.76
_cell_formula_units_Z   2
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  0.03  -0.0  0.78  1.0
  Re  Re1  1  0.58  0.6  0.22  1.0
  Re  Re2  1  0.8  0.6  0.41  1.0
  Re  Re3  1  0.81  -0.0  0.59  1.0
  Hg  Hg4  1  0.09  0.91  0.0  1.0
  Hg  Hg5  1  0.7  0.3  0.0  1.0

Re Re Re Re Hg Hg