data_Ca(P2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17
_cell_length_b   3.72
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(P2Rh)2
_chemical_formula_sum   'Ca4 P16 Rh8'
_cell_volume   493.28
_cell_formula_units_Z   4
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  0.86  0.93  0.92  1.0
  Ca  Ca1  1  0.73  0.79  0.87  1.0
  Ca  Ca2  1  0.31  0.79  0.97  1.0
  Ca  Ca3  1  0.44  0.93  0.02  1.0
  P  P4  1  0.44  0.93  0.53  1.0
  P  P5  1  0.14  0.79  0.58  1.0
  P  P6  1  0.72  0.79  0.36  1.0
  P  P7  1  0.03  0.93  0.31  1.0
  P  P8  1  0.44  0.93  0.48  1.0
  P  P9  1  0.14  0.79  0.53  1.0
  P  P10  1  0.73  0.79  0.41  1.0
  P  P11  1  0.03  0.93  0.36  1.0
  P  P12  1  0.34  0.93  0.32  1.0
  P  P13  1  0.24  0.79  0.27  1.0
  P  P14  1  0.83  0.79  0.57  1.0
  P  P15  1  0.92  0.93  0.62  1.0
  P  P16  1  0.72  0.93  0.0  1.0
  P  P17  1  0.86  0.79  0.06  1.0
  P  P18  1  0.44  0.79  0.89  1.0
  P  P19  1  0.31  0.93  0.83  1.0
  Rh  Rh20  1  0.19  0.93  0.17  1.0
  Rh  Rh21  1  0.4  0.79  0.22  1.0
  Rh  Rh22  1  0.98  0.79  0.72  1.0
  Rh  Rh23  1  0.77  0.93  0.66  1.0
  Rh  Rh24  1  0.72  0.93  0.5  1.0
  Rh  Rh25  1  0.87  0.79  0.45  1.0
  Rh  Rh26  1  0.45  0.79  0.39  1.0
  Rh  Rh27  1  0.3  0.93  0.44  1.0

data_Ca(P2Rh)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   11.17
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ca(P2Rh)2
_chemical_formula_sum   'Ca4 P16 Rh8'
_cell_volume   493.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.27  0.98  1.0
  Ca  Ca1  2  0.07  0.86  0.08  1.0
  P  P2  2  0.07  0.14  0.06  1.0
  P  P3  2  0.07  0.76  0.38  1.0
  P  P4  2  0.07  0.86  0.53  1.0
  P  P5  2  0.07  0.86  0.58  1.0
  P  P6  2  0.07  0.34  0.68  1.0
  P  P7  2  0.07  0.44  0.41  1.0
  P  P8  2  0.07  0.44  0.36  1.0
  P  P9  2  0.07  0.72  0.89  1.0
  Rh  Rh10  2  0.07  0.13  0.56  1.0
  Rh  Rh11  2  0.07  0.6  0.22  1.0
  Rh  Rh12  2  0.07  0.19  0.72  1.0
  Rh  Rh13  2  0.07  0.72  0.5  1.0

Ca Ca Ca Ca P P P P P P P P P P P P P P P P Rh Rh Rh Rh Rh Rh Rh Rh
Ca Ca Ca Ca P P P P P P P P P P P P P P P P Rh Rh Rh Rh Rh Rh Rh Rh 0 1 o o o 0 16 o o + 0 17 o o + 1 16 o o + 2 19 o o o 2 18 o o o 2 3 o o + 3 18 o o - 4 8 o o o 5 9 o o o 6 10 o o o 7 11 o o o 8 26 o o o 8 27 o o o 10 24 o o o 10 25 o o o 12 13 o o o 12 27 o o o 12 21 o o o 12 26 o o o 13 20 o o o 14 24 o o o 14 23 o o o 14 25 o o o 14 15 o o o 15 22 o o o 16 17 o o o 18 19 o o o 24 25 o o o 26 27 o o o 