data_LiGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   137.72
_cell_angle_beta   137.72
_cell_angle_gamma   61.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeSb2
_chemical_formula_sum   'Li1 Ge1 Sb2'
_cell_volume   92.08
_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
  Ge  Ge0  1  0.0  0.13  0.54  1.0
  Sb  Sb2  1  0.13  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.0  0.08  1.0

data_LiGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.9
_cell_angle_alpha   111.14
_cell_angle_beta   111.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeSb2
_chemical_formula_sum   'Li1 Ge1 Sb2'
_cell_volume   92.08
_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
  Ge  Ge1  1  0.59  0.13  0.59  1.0
  Sb  Sb2  1  0.46  0.0  0.59  1.0
  Sb  Sb3  1  0.92  0.0  0.92  1.0

Li Ge Sb Sb