data_CaGa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.1
_cell_angle_alpha   92.47
_cell_angle_beta   92.47
_cell_angle_gamma   113.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Rh
_chemical_formula_sum   'Ca1 Ga2 Rh1'
_cell_volume   73.34
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.28  0.88  0.55  1.0
  Ga  Ga2  1  0.28  0.12  0.55  1.0
  Rh  Rh3  1  0.8  0.0  0.0  1.0

data_CaGa2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   113.24
_cell_angle_beta   92.47
_cell_angle_gamma   92.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Rh
_chemical_formula_sum   'Ca1 Ga2 Rh1'
_cell_volume   73.34
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.55  0.28  0.88  1.0
  Ga  Ga2  1  0.55  0.28  0.12  1.0
  Rh  Rh3  1  0.0  0.8  0.0  1.0

Ca Ga Ga Rh
Ca Ga Ga Rh 0 3 - o o 1 2 o + o 