data_SrHfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   40.81
_cell_angle_beta   40.81
_cell_angle_gamma   40.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfRh2
_chemical_formula_sum   'Sr1 Hf1 Rh2'
_cell_volume   93.09
_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
  Hf  Hf0  1  0.0  0.0  0.55  1.0
  Rh  Rh1  1  0.0  0.0  0.45  1.0
  Rh  Rh2  1  0.0  0.0  0.65  1.0

data_SrHfRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.52
_cell_length_b   4.34
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   113.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHfRh2
_chemical_formula_sum   'Sr2 Hf2 Rh4'
_cell_volume   186.18
_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  0.0  1.0
  Hf  Hf1  2  -0.0  0.0  0.45  1.0
  Rh  Rh2  2  -0.0  0.0  0.55  1.0
  Rh  Rh3  2  -0.0  0.0  0.35  1.0

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