data_SrReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   135.03
_cell_angle_beta   135.03
_cell_angle_gamma   65.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReRh2
_chemical_formula_sum   'Sr1 Re1 Rh2'
_cell_volume   72.0
_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
  Re  Re0  1  0.02  0.0  0.22  1.0
  Rh  Rh1  1  0.0  0.0  0.43  1.0
  Rh  Rh2  1  0.0  0.02  0.22  1.0

data_SrReRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   122.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrReRh2
_chemical_formula_sum   'Sr2 Re2 Rh4'
_cell_volume   143.99
_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
  Re  Re1  2  0.29  0.5  0.8  1.0
  Rh  Rh2  2  0.07  0.5  0.57  1.0
  Rh  Rh3  2  0.29  0.5  0.8  1.0

Sr Re Rh Rh
Sr Re Rh Rh 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 