data_Li2MgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.36
_cell_angle_alpha   113.45
_cell_angle_beta   113.45
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgRh
_chemical_formula_sum   'Li2 Mg1 Rh1'
_cell_volume   62.39
_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  0.16  0.0  0.08  1.0
  Li  Li1  1  0.96  0.0  0.88  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.06  0.0  0.98  1.0

data_Li2MgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.36
_cell_length_c   5.22
_cell_angle_alpha   113.45
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgRh
_chemical_formula_sum   'Li2 Mg1 Rh1'
_cell_volume   62.39
_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  0.08  0.16  1.0
  Li  Li1  1  0.0  0.88  0.96  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.98  0.06  1.0

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