data_LiGaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   134.55
_cell_angle_beta   134.55
_cell_angle_gamma   66.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaGe2
_chemical_formula_sum   'Li1 Ga1 Ge2'
_cell_volume   70.06
_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  Li3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.01  0.0  0.18  1.0
  Ge  Ge1  1  0.0  0.0  0.35  1.0
  Ge  Ge2  1  0.0  0.01  0.18  1.0

data_LiGaGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   123.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGaGe2
_chemical_formula_sum   'Li2 Ga2 Ge4'
_cell_volume   140.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.33  0.5  0.83  1.0
  Ge  Ge2  2  0.15  0.5  0.65  1.0
  Ge  Ge3  2  0.33  0.5  0.83  1.0

Li Ga Ge Ge
Li Ga Ge Ge 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 