data_Li2NbRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbRh
_chemical_formula_sum   'Li2 Nb1 Rh1'
_cell_volume   65.92
_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
  Li  Li0  1  0.0  0.0  0.25  1.0
  Li  Li1  1  0.54  0.0  0.99  1.0
  Nb  Nb2  1  0.0  0.0  0.46  1.0
  Rh  Rh3  1  0.54  0.0  0.29  1.0

data_Li2NbRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbRh
_chemical_formula_sum   'Li2 Nb1 Rh1'
_cell_volume   65.92
_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
  Li  Li0  1  0.0  0.0  0.25  1.0
  Li  Li1  1  0.54  0.0  0.99  1.0
  Nb  Nb2  1  0.0  0.0  0.46  1.0
  Rh  Rh3  1  0.54  0.0  0.29  1.0

Li Li Nb Rh
Li Li Nb Rh 0 3 - o o 0 3 o o o 0 1 o o - 0 1 - o - 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o + 2 3 - o o 2 3 o o o 