data_Ca(SiRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   138.46
_cell_angle_beta   138.46
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(SiRh)2
_chemical_formula_sum   'Ca1 Si2 Rh2'
_cell_volume   85.03
_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  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.29  1.0
  Si  Si2  1  0.0  0.0  0.75  1.0
  Rh  Rh3  1  0.0  0.06  0.51  1.0
  Rh  Rh4  1  0.06  0.0  0.51  1.0

data_Ca(SiRh)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   120.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca(SiRh)2
_chemical_formula_sum   'Ca2 Si4 Rh4'
_cell_volume   170.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.29  1.0
  Si  Si2  2  0.0  0.0  0.75  1.0
  Rh  Rh3  4  0.47  0.47  0.45  1.0

Ca Si Si Rh Rh
Ca Si Si Rh Rh 0 2 o o - 0 1 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 