data_CaGaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   147.6
_cell_angle_beta   147.6
_cell_angle_gamma   46.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaRh
_chemical_formula_sum   'Ca1 Ga1 Rh1'
_cell_volume   58.29
_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  0.07  1.0
  Ga  Ga1  1  0.0  0.0  0.23  1.0
  Rh  Rh2  1  0.0  0.0  0.52  1.0

data_CaGaRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaGaRh
_chemical_formula_sum   'Ca2 Ga2 Rh2'
_cell_volume   116.58
_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  0.07  0.0  0.07  1.0
  Ga  Ga1  2  0.23  0.0  0.23  1.0
  Rh  Rh2  2  0.02  0.5  0.52  1.0

Ca Ga Rh
Ca Ga Rh 0 1 o o o 1 2 o o o 