data_[Ba4Li1Ge4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8303]
_cell_length_b [5.7704]
_cell_length_c [13.1610]
_cell_angle_alpha [91.2106]
_cell_angle_beta [92.0668]
_cell_angle_gamma [90.1191]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba4Li(GeO3)4]
_chemical_formula_sum '[Ba4 Li1 Ge4 O12]'
_cell_volume [366.5139]
_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
[
  Ba  Ba0  1  0.2320  0.7391  0.8852  1
  Ba  Ba1  1  0.2351  0.1995  0.3646  1
  Ba  Ba2  1  0.7560  0.2989  0.6389  1
  Ba  Ba3  1  0.7906  0.7029  0.1547  1
  Li  Li4  1  0.6899  0.7653  0.7368  1
  Ge  Ge5  1  0.2126  0.8310  0.5797  1
  Ge  Ge6  1  0.2919  0.2224  0.0759  1
  Ge  Ge7  1  0.6964  0.6966  0.4359  1
  Ge  Ge8  1  0.7653  0.2460  0.9035  1
  O  O9  1  0.1290  0.3008  0.9547  1
  O  O10  1  0.1961  0.3858  0.1837  1
  O  O11  1  0.2614  0.1302  0.5775  1
  O  O12  1  0.2642  0.9171  0.0878  1
  O  O13  1  0.3240  0.7165  0.4577  1
  O  O14  1  0.3272  0.6717  0.6829  1
  O  O15  1  0.6366  0.3201  0.0511  1
  O  O16  1  0.7340  0.5200  0.8367  1
  O  O17  1  0.7546  0.4017  0.4189  1
  O  O18  1  0.7659  0.8890  0.3405  1
  O  O19  1  0.8355  0.7838  0.5651  1
  O  O20  1  0.8380  0.0325  0.7978  1
]