data_LiMg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.36
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   35.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Ge
_chemical_formula_sum   'Li1 Mg2 Ge1'
_cell_volume   78.18
_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  0.08  0.0  0.38  1.0
  Mg  Mg2  1  0.62  0.0  0.09  1.0
  Mg  Mg3  1  0.65  0.0  0.86  1.0
  Ge  Ge0  1  0.35  0.0  0.59  1.0

data_LiMg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.06
_cell_length_c   5.36
_cell_angle_alpha   99.52
_cell_angle_beta   90.0
_cell_angle_gamma   107.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Ge
_chemical_formula_sum   'Li1 Mg2 Ge1'
_cell_volume   78.18
_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  0.92  0.62  1.0
  Mg  Mg1  1  0.0  0.35  0.14  1.0
  Mg  Mg2  1  0.0  0.38  0.91  1.0
  Ge  Ge3  1  0.0  0.65  0.41  1.0

Li Mg Mg Ge