data_Li2GaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   145.79
_cell_angle_beta   132.35
_cell_angle_gamma   59.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaRh
_chemical_formula_sum   'Li2 Ga1 Rh1'
_cell_volume   55.43
_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  0.07  0.19  1.0
  Li  Li2  1  0.51  0.0  0.25  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.44  1.0

data_Li2GaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.14
_cell_length_c   5.13
_cell_angle_alpha   113.83
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaRh
_chemical_formula_sum   'Li2 Ga1 Rh1'
_cell_volume   55.43
_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  0.26  0.75  0.26  1.0
  Li  Li1  1  0.81  0.88  0.88  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.56  0.56  0.56  1.0

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