data_ReHgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.32
_cell_length_c   3.09
_cell_angle_alpha   84.02
_cell_angle_beta   74.94
_cell_angle_gamma   21.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgBi
_chemical_formula_sum   'Re1 Hg1 Bi1'
_cell_volume   70.14
_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  0.64  0.62  0.48  1.0
  Hg  Hg1  1  0.64  0.62  0.25  1.0
  Bi  Bi0  1  0.64  0.62  0.9  1.0

data_ReHgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.28
_cell_length_b   16.32
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   121.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReHgBi
_chemical_formula_sum   'Re2 Hg2 Bi2'
_cell_volume   140.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.14  0.5  0.12  1.0
  Hg  Hg1  2  0.14  0.5  0.89  1.0
  Bi  Bi2  2  0.14  0.5  0.54  1.0

Re Hg Bi
Re Hg Bi 0 1 o o o 1 2 o o - 