data_CaCrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   149.33
_cell_angle_beta   144.35
_cell_angle_gamma   47.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrRh
_chemical_formula_sum   'Ca1 Cr1 Rh1'
_cell_volume   58.87
_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  0.06  1.0
  Cr  Cr1  1  0.0  0.0  0.1  1.0
  Rh  Rh2  1  0.0  0.0  0.52  1.0

data_CaCrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.57
_cell_length_c   5.84
_cell_angle_alpha   107.82
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrRh
_chemical_formula_sum   'Ca1 Cr1 Rh1'
_cell_volume   58.87
_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  0.06  0.06  1.0
  Cr  Cr1  1  0.0  0.1  0.1  1.0
  Rh  Rh2  1  0.0  0.52  0.52  1.0

Ca Cr Rh
Ca Cr Rh 0 1 o o o 0 2 o o o 1 2 o o o 2 2 o + + 