data_NaCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.34
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuRh2
_chemical_formula_sum   'Na1 Cu1 Rh2'
_cell_volume   62.09
_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
  Na  Na1  1  0.97  0.0  0.77  1.0
  Cu  Cu0  1  0.38  0.17  0.64  1.0
  Rh  Rh2  1  0.01  0.17  0.37  1.0
  Rh  Rh3  1  0.4  0.0  0.14  1.0

data_NaCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.34
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuRh2
_chemical_formula_sum   'Na1 Cu1 Rh2'
_cell_volume   62.09
_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
  Na  Na0  1  0.97  0.0  0.77  1.0
  Cu  Cu1  1  0.38  0.17  0.64  1.0
  Rh  Rh2  1  0.01  0.17  0.37  1.0
  Rh  Rh3  1  0.4  0.0  0.14  1.0

Na Cu Rh Rh
Na Cu Rh Rh 0 1 o o o 0 1 + o o 0 3 + o + 1 2 o o o 2 3 o o o 2 3 - o o 