data_InReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   5.43
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReHg2
_chemical_formula_sum   'In1 Re1 Hg2'
_cell_volume   81.94
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.35  0.0  0.59  1.0
  Hg  Hg0  1  0.99  0.72  0.86  1.0
  Hg  Hg1  1  0.72  0.72  0.32  1.0

data_InReHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.18
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReHg2
_chemical_formula_sum   'In1 Re1 Hg2'
_cell_volume   81.94
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.65  0.41  0.0  1.0
  Hg  Hg2  1  0.01  0.14  0.28  1.0
  Hg  Hg3  1  0.28  0.68  0.28  1.0

In Re Hg Hg