data_LiGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.11
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaRh2
_chemical_formula_sum   'Li1 Ga1 Rh2'
_cell_volume   55.33
_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  Li1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.46  0.0  0.31  1.0
  Rh  Rh2  1  0.0  0.06  0.31  1.0
  Rh  Rh3  1  0.46  0.06  0.0  1.0

data_LiGaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.11
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaRh2
_chemical_formula_sum   'Li1 Ga1 Rh2'
_cell_volume   55.33
_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
  Ga  Ga1  1  0.46  0.0  0.31  1.0
  Rh  Rh2  1  -0.0  0.06  0.31  1.0
  Rh  Rh3  1  0.46  0.06  0.0  1.0

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