data_[Li4Ca8Ge4O20]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3462]
_cell_length_b [12.8572]
_cell_length_c [9.9385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCa2GeO5]
_chemical_formula_sum '[Li4 Ca8 Ge4 O20]'
_cell_volume [427.5747]
_cell_formula_units_Z [4]
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  4  0.0000  0.2221  0.0200  1
  Ca  Ca1  4  0.0000  0.1063  0.6602  1
  Ca  Ca2  4  0.0000  0.1417  0.2957  1
  Ge  Ge3  4  0.0000  0.4574  0.4551  1
  O  O4  4  0.0000  0.0572  0.0420  1
  O  O5  4  0.0000  0.2801  0.6654  1
  O  O6  4  0.0000  0.3124  0.4173  1
  O  O7  4  0.0000  0.3956  0.9905  1
  O  O8  4  0.0000  0.4872  0.2777  1
]