data_LiSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.6
_cell_angle_alpha   96.91
_cell_angle_beta   96.91
_cell_angle_gamma   32.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Ge
_chemical_formula_sum   'Li1 Si2 Ge1'
_cell_volume   62.01
_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
  Si  Si2  1  0.02  0.0  0.12  1.0
  Si  Si3  1  1.0  0.0  0.44  1.0
  Ge  Ge0  1  0.51  0.0  0.28  1.0

data_LiSi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.6
_cell_length_c   5.0
_cell_angle_alpha   96.91
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Ge
_chemical_formula_sum   'Li1 Si2 Ge1'
_cell_volume   62.01
_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
  Si  Si1  1  0.0  0.12  0.02  1.0
  Si  Si2  1  0.0  0.44  1.0  1.0
  Ge  Ge3  1  0.0  0.28  0.51  1.0

Li Si Si Ge
Li Si Si Ge 0 1 o o o 0 3 o o o 0 3 - o o 1 2 - o o 1 3 o o o 1 3 - o o 2 3 + o o 2 3 o o o 3 3 + - o 