data_[Li4Sc2Al2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0710]
_cell_length_b [7.9022]
_cell_length_c [6.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2ScAlGe2]
_chemical_formula_sum '[Li4 Sc2 Al2 Ge4]'
_cell_volume [216.1367]
_cell_formula_units_Z [2]
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  2  0.0000  0.1754  0.3553  1.0
  Li  Li1  2  0.5000  0.0822  0.0369  1.0
  Sc  Sc2  2  0.0000  0.4386  0.9800  1.0
  Al  Al3  2  0.5000  0.3094  0.6513  1.0
  Ge  Ge4  2  0.0000  0.1451  0.7561  1.0
  Ge  Ge5  2  0.5000  0.3758  0.2660  1.0
]