data_LiNiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.28
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiRh2
_chemical_formula_sum   'Li1 Ni1 Rh2'
_cell_volume   53.07
_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  0.0  1.0
  Ni  Ni1  1  0.18  0.0  0.35  1.0
  Rh  Rh2  1  0.45  0.14  0.53  1.0
  Rh  Rh3  1  0.9  0.14  0.18  1.0

data_LiNiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.28
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiRh2
_chemical_formula_sum   'Li1 Ni1 Rh2'
_cell_volume   53.07
_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  0.0  1.0
  Ni  Ni1  1  0.18  0.0  0.35  1.0
  Rh  Rh2  1  0.45  0.14  0.53  1.0
  Rh  Rh3  1  0.9  0.14  0.18  1.0

Li Ni Rh Rh
Li Ni Rh Rh 0 3 - o o 1 3 - o o 1 2 o o o 