data_Ca4PRh6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4PRh6
_chemical_formula_sum   'Ca4 P1 Rh6'
_cell_volume   228.01
_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  1.0  0.48  0.0  1.0
  Ca  Ca1  1  0.79  0.13  0.19  1.0
  Ca  Ca2  1  0.88  0.45  0.19  1.0
  Ca  Ca3  1  0.96  0.13  0.19  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.56  1.0  0.0  1.0
  Rh  Rh6  1  0.88  0.72  0.0  1.0
  Rh  Rh7  1  0.19  1.0  0.0  1.0
  Rh  Rh8  1  0.65  0.25  0.19  1.0
  Rh  Rh9  1  1.0  0.92  0.19  1.0
  Rh  Rh10  1  0.35  0.25  0.19  1.0

data_Ca4PRh6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4PRh6
_chemical_formula_sum   'Ca4 P1 Rh6'
_cell_volume   228.01
_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  1.0  0.48  1.0
  Ca  Ca1  1  0.19  0.79  0.13  1.0
  Ca  Ca2  1  0.19  0.88  0.45  1.0
  Ca  Ca3  1  0.19  0.96  0.13  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.0  0.88  0.72  1.0
  Rh  Rh6  1  0.0  0.19  1.0  1.0
  Rh  Rh7  1  0.0  0.56  1.0  1.0
  Rh  Rh8  1  0.19  0.35  0.25  1.0
  Rh  Rh9  1  0.19  0.65  0.25  1.0
  Rh  Rh10  1  0.19  1.0  0.92  1.0

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