data_ZnReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.31
_cell_length_c   2.87
_cell_angle_alpha   84.35
_cell_angle_beta   73.51
_cell_angle_gamma   22.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReHg
_chemical_formula_sum   'Zn1 Re1 Hg1'
_cell_volume   51.22
_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
  Zn  Zn2  1  0.44  0.49  0.64  1.0
  Re  Re1  1  0.44  0.49  0.66  1.0
  Hg  Hg0  1  0.44  0.49  0.04  1.0

data_ZnReHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.88
_cell_length_b   14.33
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   120.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnReHg
_chemical_formula_sum   'Zn2 Re2 Hg2'
_cell_volume   102.45
_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
  Zn  Zn0  2  0.44  0.0  0.07  1.0
  Re  Re1  2  0.44  0.0  0.09  1.0
  Hg  Hg2  2  0.44  0.0  0.47  1.0

Zn Re Hg