data_ReHgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgGe
_chemical_formula_sum   'Re1 Hg1 Ge1'
_cell_volume   54.86
_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  0.75  0.79  1.0
  Hg  Hg1  1  0.51  0.87  0.37  1.0
  Ge  Ge0  1  0.0  0.0  0.65  1.0

data_ReHgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgGe
_chemical_formula_sum   'Re1 Hg1 Ge1'
_cell_volume   54.86
_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  0.75  0.79  1.0
  Hg  Hg1  1  0.51  0.87  0.37  1.0
  Ge  Ge2  1  0.0  0.0  0.65  1.0

Re Hg Ge
Re Hg Ge 0 2 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + + o 1 1 + + o 1 1 o + o 1 1 + o o 