data_LiLaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.62
_cell_angle_alpha   107.88
_cell_angle_beta   107.88
_cell_angle_gamma   51.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaGe2
_chemical_formula_sum   'Li1 La1 Ge2'
_cell_volume   88.3
_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
  La  La2  1  0.22  0.0  0.64  1.0
  Ge  Ge0  1  0.88  0.0  0.77  1.0
  Ge  Ge1  1  0.57  0.0  0.52  1.0

data_LiLaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.63
_cell_length_c   5.62
_cell_angle_alpha   107.88
_cell_angle_beta   90.0
_cell_angle_gamma   115.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaGe2
_chemical_formula_sum   'Li1 La1 Ge2'
_cell_volume   88.3
_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
  La  La1  1  0.0  0.78  0.36  1.0
  Ge  Ge2  1  0.0  0.12  0.23  1.0
  Ge  Ge3  1  0.0  0.43  0.48  1.0

Li La Ge Ge
Li La Ge Ge 0 2 - o - 1 2 - o o 1 3 o o o 2 3 o o o 