data_LiRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   3.85
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRh3
_chemical_formula_sum   'Li1 Rh3'
_cell_volume   54.76
_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
  Rh  Rh1  1  0.35  0.92  0.97  1.0
  Rh  Rh2  1  0.0  0.0  0.63  1.0
  Rh  Rh3  1  0.35  0.92  0.29  1.0

data_LiRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   3.85
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRh3
_chemical_formula_sum   'Li1 Rh3'
_cell_volume   54.76
_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
  Rh  Rh1  1  0.0  0.0  0.63  1.0
  Rh  Rh2  1  0.35  0.92  0.29  1.0
  Rh  Rh3  1  0.35  0.92  0.97  1.0

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