data_Sr2GaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   8.68
_cell_angle_alpha   98.07
_cell_angle_beta   98.07
_cell_angle_gamma   49.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaRh
_chemical_formula_sum   'Sr2 Ga1 Rh1'
_cell_volume   119.23
_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  0.52  0.0  0.48  1.0
  Sr  Sr3  1  0.93  0.0  0.1  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.22  0.0  0.29  1.0

data_Sr2GaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.28
_cell_length_c   8.68
_cell_angle_alpha   98.07
_cell_angle_beta   90.0
_cell_angle_gamma   114.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaRh
_chemical_formula_sum   'Sr2 Ga1 Rh1'
_cell_volume   119.23
_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  0.07  0.9  1.0
  Sr  Sr1  1  0.0  0.48  0.52  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.78  0.71  1.0

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