data_Li2SiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.78
_cell_angle_alpha   103.18
_cell_angle_beta   103.18
_cell_angle_gamma   124.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SiRh
_chemical_formula_sum   'Li2 Si1 Rh1'
_cell_volume   52.94
_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  0.53  0.27  0.21  1.0
  Li  Li1  1  0.53  0.73  0.21  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.41  0.0  0.0  1.0

data_Li2SiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.23
_cell_length_c   5.13
_cell_angle_alpha   112.57
_cell_angle_beta   103.18
_cell_angle_gamma   95.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2SiRh
_chemical_formula_sum   'Li2 Si1 Rh1'
_cell_volume   52.94
_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  0.48  0.27  0.79  1.0
  Li  Li1  1  0.95  0.73  0.26  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.0  0.41  1.0

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