data_LiBeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.6
_cell_angle_alpha   102.36
_cell_angle_beta   102.36
_cell_angle_gamma   40.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeGe2
_chemical_formula_sum   'Li1 Be1 Ge2'
_cell_volume   61.75
_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
  Be  Be0  1  0.3  0.0  0.73  1.0
  Ge  Ge1  1  0.63  0.0  0.58  1.0
  Ge  Ge2  1  0.97  0.0  0.88  1.0

data_LiBeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.19
_cell_length_c   5.6
_cell_angle_alpha   102.36
_cell_angle_beta   90.0
_cell_angle_gamma   110.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeGe2
_chemical_formula_sum   'Li1 Be1 Ge2'
_cell_volume   61.75
_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
  Be  Be1  1  0.0  0.7  0.27  1.0
  Ge  Ge2  1  0.0  0.03  0.12  1.0
  Ge  Ge3  1  0.0  0.37  0.42  1.0

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