data_CaGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   8.0
_cell_angle_alpha   23.65
_cell_angle_beta   23.65
_cell_angle_gamma   23.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaRh2
_chemical_formula_sum   'Ca1 Ga1 Rh2'
_cell_volume   72.39
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.66  1.0
  Rh  Rh2  1  0.0  0.0  0.79  1.0
  Rh  Rh3  1  0.0  0.0  0.53  1.0

data_CaGaRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   3.28
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   103.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaGaRh2
_chemical_formula_sum   'Ca2 Ga2 Rh4'
_cell_volume   144.77
_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
  Ga  Ga1  2  0.0  0.0  0.34  1.0
  Rh  Rh2  2  0.0  0.0  0.21  1.0
  Rh  Rh3  2  0.0  0.0  0.47  1.0

Ca Ga Rh Rh
Ca Ga Rh Rh 0 2 o o - 1 3 o o o 1 2 o o o 