data_CaP4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   3.67
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP4Rh
_chemical_formula_sum   'Ca2 P8 Rh2'
_cell_volume   202.26
_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  0.19  0.0  0.44  1.0
  Ca  Ca1  1  0.73  0.0  0.53  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.46  0.0  0.0  1.0
  P  P4  1  0.19  0.83  0.15  1.0
  P  P5  1  0.73  0.83  0.82  1.0
  P  P6  1  0.6  0.83  0.96  1.0
  P  P7  1  0.78  0.83  0.96  1.0
  P  P8  1  0.32  0.83  0.02  1.0
  P  P9  1  0.14  0.83  0.02  1.0
  Rh  Rh10  1  0.19  0.0  0.15  1.0
  Rh  Rh11  1  0.73  0.0  0.82  1.0

data_CaP4Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.92
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP4Rh
_chemical_formula_sum   'Ca2 P8 Rh2'
_cell_volume   202.26
_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  0.27  0.47  1.0
  Ca  Ca1  1  0.0  0.81  0.56  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.54  0.0  1.0
  P  P4  1  0.17  0.22  0.04  1.0
  P  P5  1  0.17  0.27  0.18  1.0
  P  P6  1  0.17  0.4  0.04  1.0
  P  P7  1  0.17  0.68  0.98  1.0
  P  P8  1  0.17  0.81  0.85  1.0
  P  P9  1  0.17  0.86  0.98  1.0
  Rh  Rh10  1  0.0  0.27  0.18  1.0
  Rh  Rh11  1  0.0  0.81  0.85  1.0

Ca Ca P P P P P P P P Rh Rh
Ca Ca P P P P P P P P Rh Rh 0 4 o - o 0 10 o o o 1 5 o - o 1 11 o o o 2 9 o - o 3 8 o - o 3 6 o - - 4 10 o + o 4 9 o o o 5 11 o + o 5 6 o o o 5 7 o o o 6 7 o o o 7 11 o + o 8 9 o o o 9 10 o + o 