data_LiYGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   142.08
_cell_angle_beta   138.21
_cell_angle_gamma   57.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYGe2
_chemical_formula_sum   'Li1 Y1 Ge2'
_cell_volume   81.1
_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  Li2  1  0.0  0.0  0.37  1.0
  Y  Y3  1  0.0  0.09  0.79  1.0
  Ge  Ge0  1  0.0  0.0  0.14  1.0
  Ge  Ge1  1  0.9  0.0  0.93  1.0

data_LiYGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.17
_cell_length_c   5.85
_cell_angle_alpha   110.9
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYGe2
_chemical_formula_sum   'Li1 Y1 Ge2'
_cell_volume   81.1
_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  0.63  0.63  0.63  1.0
  Y  Y1  1  0.21  0.29  0.29  1.0
  Ge  Ge2  1  0.86  0.86  0.86  1.0
  Ge  Ge3  1  0.97  0.07  0.97  1.0

Li Y Ge Ge