data_LiFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   130.82
_cell_angle_beta   130.82
_cell_angle_gamma   72.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Rh
_chemical_formula_sum   'Li1 Fe2 Rh1'
_cell_volume   45.81
_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  Li2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.51  1.0
  Fe  Fe1  1  0.0  0.81  0.76  1.0
  Rh  Rh3  1  0.81  0.0  0.76  1.0

data_LiFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.34
_cell_angle_alpha   114.59
_cell_angle_beta   114.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Rh
_chemical_formula_sum   'Li1 Fe2 Rh1'
_cell_volume   45.81
_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
  Fe  Fe1  1  0.51  0.51  0.51  1.0
  Fe  Fe2  1  0.95  0.76  0.95  1.0
  Rh  Rh3  1  0.76  0.95  0.95  1.0

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