data_Na2YRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YRh
_chemical_formula_sum   'Na2 Y1 Rh1'
_cell_volume   95.96
_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  0.64  0.0  0.26  1.0
  Na  Na1  1  0.64  0.0  0.98  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.62  1.0

data_Na2YRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YRh
_chemical_formula_sum   'Na2 Y1 Rh1'
_cell_volume   95.96
_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  0.64  0.0  0.26  1.0
  Na  Na1  1  0.64  0.0  0.98  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.62  1.0

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