data_CaCrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrRh
_chemical_formula_sum   'Ca1 Cr1 Rh1'
_cell_volume   53.1
_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  0.01  1.0
  Cr  Cr1  1  0.0  0.53  0.4  1.0
  Rh  Rh2  1  0.19  0.26  0.8  1.0

data_CaCrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrRh
_chemical_formula_sum   'Ca1 Cr1 Rh1'
_cell_volume   53.1
_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  0.01  0.0  0.0  1.0
  Cr  Cr1  1  0.4  0.0  0.53  1.0
  Rh  Rh2  1  0.8  0.19  0.26  1.0

Ca Cr Rh
Ca Cr Rh 0 2 o o - 0 1 o - o 0 1 o o o 1 2 o o - 1 2 o o o 