data_LiScRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScRh
_chemical_formula_sum   'Li1 Sc1 Rh1'
_cell_volume   47.71
_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  0.15  1.0
  Sc  Sc2  1  0.0  0.46  0.03  1.0
  Rh  Rh1  1  0.13  0.23  0.86  1.0

data_LiScRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScRh
_chemical_formula_sum   'Li1 Sc1 Rh1'
_cell_volume   47.71
_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  0.15  0.0  0.0  1.0
  Sc  Sc1  1  0.03  0.0  0.46  1.0
  Rh  Rh2  1  0.86  0.13  0.23  1.0

Li Sc Rh
Li Sc Rh 0 2 o o - 1 2 o o - 