data_SrHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.63
_cell_angle_alpha   108.68
_cell_angle_beta   108.68
_cell_angle_gamma   41.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgRh2
_chemical_formula_sum   'Sr1 Hg1 Rh2'
_cell_volume   89.55
_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  0.0  1.0
  Hg  Hg0  1  0.8  0.0  0.64  1.0
  Rh  Rh1  1  0.98  0.0  0.51  1.0
  Rh  Rh2  1  0.62  0.0  0.77  1.0

data_SrHgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.08
_cell_length_c   5.63
_cell_angle_alpha   108.68
_cell_angle_beta   90.0
_cell_angle_gamma   110.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgRh2
_chemical_formula_sum   'Sr1 Hg1 Rh2'
_cell_volume   89.55
_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  Sr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.2  0.36  1.0
  Rh  Rh2  1  0.0  0.02  0.49  1.0
  Rh  Rh3  1  0.0  0.38  0.23  1.0

Sr Hg Rh Rh
Sr Hg Rh Rh 0 3 - o - 0 1 - o - 1 3 o o o 1 2 o o o 