data_MgReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReHg2
_chemical_formula_sum   'Mg1 Re1 Hg2'
_cell_volume   76.0
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.73  1.0
  Hg  Hg0  1  0.68  0.0  0.11  1.0
  Hg  Hg1  1  0.68  0.0  0.35  1.0

data_MgReHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReHg2
_chemical_formula_sum   'Mg1 Re1 Hg2'
_cell_volume   76.0
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.73  1.0
  Hg  Hg2  1  0.68  0.0  0.11  1.0
  Hg  Hg3  1  0.68  0.0  0.35  1.0

Mg Re Hg Hg
Mg Re Hg Hg 0 2 - o o 0 1 o o - 1 1 o + o 1 1 + o o 2 3 o o o 