data_Sr2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.9
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeRh
_chemical_formula_sum   'Sr2 Ge1 Rh1'
_cell_volume   103.92
_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  Sr2  1  0.76  0.95  0.31  1.0
  Sr  Sr3  1  0.86  0.95  0.9  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.96  0.0  0.6  1.0

data_Sr2GeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.9
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeRh
_chemical_formula_sum   'Sr2 Ge1 Rh1'
_cell_volume   103.92
_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  0.76  0.95  0.31  1.0
  Sr  Sr1  1  0.86  0.95  0.9  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.96  0.0  0.6  1.0

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