data_[Li4Ca2Al2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  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 [4.2180]
_cell_length_b [7.8021]
_cell_length_c [7.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2CaAlGe2]
_chemical_formula_sum '[Li4 Ca2 Al2 Ge4]'
_cell_volume [237.3453]
_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  0.1800  0.3593  1.0
  Li  Li1  2  0.5000  0.0708  0.0400  1.0
  Ca  Ca2  2  0.0000  0.4223  0.9927  1.0
  Al  Al3  2  0.5000  0.3071  0.6477  1.0
  Ge  Ge4  2  0.0000  0.1251  0.7220  1.0
  Ge  Ge5  2  0.5000  0.3713  0.2839  1.0
]