data_SrCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.71
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   57.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuRh2
_chemical_formula_sum   'Sr1 Cu1 Rh2'
_cell_volume   84.97
_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  0.66  0.0  0.58  1.0
  Cu  Cu0  1  0.22  0.0  0.77  1.0
  Rh  Rh1  1  0.0  0.0  0.1  1.0
  Rh  Rh2  1  0.2  0.0  0.37  1.0

data_SrCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.4
_cell_length_c   5.71
_cell_angle_alpha   111.07
_cell_angle_beta   90.0
_cell_angle_gamma   118.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuRh2
_chemical_formula_sum   'Sr1 Cu1 Rh2'
_cell_volume   84.97
_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  0.34  0.42  1.0
  Cu  Cu1  1  0.0  0.78  0.23  1.0
  Rh  Rh2  1  0.0  0.8  0.63  1.0
  Rh  Rh3  1  0.0  1.0  0.9  1.0

Sr Cu Rh Rh
Sr Cu Rh Rh 0 3 o o o 0 1 + o o 0 1 o o o 1 3 o o o 1 2 o o + 2 3 o o o 