data_SrReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReHg2
_chemical_formula_sum   'Sr1 Re1 Hg2'
_cell_volume   90.27
_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
  Sr  Sr3  1  0.0  0.0  0.95  1.0
  Re  Re2  1  0.54  0.54  0.55  1.0
  Hg  Hg0  1  0.54  0.54  0.12  1.0
  Hg  Hg1  1  0.0  0.0  0.58  1.0

data_SrReHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrReHg2
_chemical_formula_sum   'Sr2 Re2 Hg4'
_cell_volume   180.54
_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
  Sr  Sr0  2  0.0  0.0  0.95  1.0
  Re  Re1  2  0.04  0.5  0.55  1.0
  Hg  Hg2  2  0.0  0.0  0.58  1.0
  Hg  Hg3  2  0.04  0.5  0.12  1.0

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