data_Re2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   120.85
_cell_angle_beta   120.85
_cell_angle_gamma   88.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2HgBi
_chemical_formula_sum   'Re2 Hg1 Bi1'
_cell_volume   77.26
_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  0.0  0.37  0.72  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.44  1.0
  Bi  Bi0  1  0.37  0.0  0.72  1.0

data_Re2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.8
_cell_angle_alpha   119.58
_cell_angle_beta   119.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2HgBi
_chemical_formula_sum   'Re2 Hg1 Bi1'
_cell_volume   77.26
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.35  0.72  0.35  1.0
  Hg  Hg2  1  0.44  0.44  0.44  1.0
  Bi  Bi3  1  0.72  0.35  0.35  1.0

Re Re Hg Bi