data_LiCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   131.27
_cell_angle_beta   131.27
_cell_angle_gamma   71.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Rh
_chemical_formula_sum   'Li1 Cu2 Rh1'
_cell_volume   50.7
_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
  Cu  Cu0  1  0.0  0.86  0.83  1.0
  Cu  Cu1  1  0.86  0.0  0.83  1.0
  Rh  Rh3  1  0.0  0.0  0.66  1.0

data_LiCu2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   125.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCu2Rh
_chemical_formula_sum   'Li2 Cu4 Rh2'
_cell_volume   101.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.1  0.07  0.03  1.0
  Rh  Rh2  2  0.34  0.0  0.34  1.0

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