data_Ca4Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Rh5
_chemical_formula_sum   'Ca8 Rh10'
_cell_volume   350.31
_cell_formula_units_Z   2
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  0.9  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Ca  Ca2  1  0.57  0.72  0.35  1.0
  Ca  Ca3  1  0.22  0.0  0.35  1.0
  Ca  Ca4  1  0.39  0.52  0.35  1.0
  Ca  Ca5  1  0.61  0.52  0.45  1.0
  Ca  Ca6  1  0.14  0.0  0.45  1.0
  Ca  Ca7  1  0.43  0.72  0.45  1.0
  Rh  Rh8  1  0.89  0.01  0.35  1.0
  Rh  Rh9  1  0.57  0.0  0.35  1.0
  Rh  Rh10  1  0.72  0.22  0.35  1.0
  Rh  Rh11  1  0.28  0.22  0.45  1.0
  Rh  Rh12  1  0.79  0.0  0.45  1.0
  Rh  Rh13  1  0.11  0.01  0.45  1.0
  Rh  Rh14  1  0.0  0.82  0.9  1.0
  Rh  Rh15  1  0.18  0.41  0.0  1.0
  Rh  Rh16  1  0.18  0.41  0.9  1.0
  Rh  Rh17  1  0.0  0.82  0.0  1.0

data_Ca4Rh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.79
_cell_length_b   8.36
_cell_length_c   8.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Rh5
_chemical_formula_sum   'Ca8 Rh10'
_cell_volume   350.31
_cell_formula_units_Z   2
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
  Ca  Ca1  1  0.35  0.22  0.0  1.0
  Ca  Ca2  1  0.35  0.39  0.52  1.0
  Ca  Ca3  1  0.35  0.57  0.72  1.0
  Ca  Ca4  1  0.45  0.14  0.0  1.0
  Ca  Ca5  1  0.45  0.43  0.72  1.0
  Ca  Ca6  1  0.45  0.61  0.52  1.0
  Ca  Ca7  1  0.9  0.0  0.0  1.0
  Rh  Rh8  1  -0.0  0.18  0.41  1.0
  Rh  Rh9  1  -0.0  -0.0  0.82  1.0
  Rh  Rh10  1  0.35  0.57  0.0  1.0
  Rh  Rh11  1  0.35  0.72  0.22  1.0
  Rh  Rh12  1  0.35  0.89  0.01  1.0
  Rh  Rh13  1  0.45  0.11  0.01  1.0
  Rh  Rh14  1  0.45  0.28  0.22  1.0
  Rh  Rh15  1  0.45  0.79  0.0  1.0
  Rh  Rh16  1  0.9  -0.0  0.82  1.0
  Rh  Rh17  1  0.9  0.18  0.41  1.0

Ca Ca Ca Ca Ca Ca Ca Ca Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Ca Ca Ca Ca Ca Ca Ca Ca Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 1 o o + 2 7 o o o 2 4 o o o 2 5 o o o 3 6 o o o 3 11 o o o 4 7 o o o 4 5 o o o 6 13 o o o 6 11 o o o 8 12 o o o 9 12 o o o 9 10 o o o 11 13 o o o 14 17 o o + 15 16 o o - 