data_CaSiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.29
_cell_angle_alpha   111.76
_cell_angle_beta   111.76
_cell_angle_gamma   32.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiRh2
_chemical_formula_sum   'Ca1 Si1 Rh2'
_cell_volume   65.39
_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  0.3  0.0  0.94  1.0
  Si  Si3  1  0.23  0.0  0.81  1.0
  Rh  Rh1  1  0.11  0.0  0.04  1.0
  Rh  Rh2  1  0.88  0.0  0.14  1.0

data_CaSiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.29
_cell_length_c   5.56
_cell_angle_alpha   111.76
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiRh2
_chemical_formula_sum   'Ca1 Si1 Rh2'
_cell_volume   65.39
_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  0.94  0.3  1.0
  Si  Si1  1  0.0  0.81  0.23  1.0
  Rh  Rh2  1  0.0  0.04  0.11  1.0
  Rh  Rh3  1  0.0  0.14  0.88  1.0

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