data_[Li4Cu2Ge2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.4718]
_cell_length_b [5.4251]
_cell_length_c [5.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuGeO4]
_chemical_formula_sum '[Li4 Cu2 Ge2 O8]'
_cell_volume [176.9471]
_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  4  0.2488  0.6686  0.9944  1.0
  Cu  Cu1  2  0.0000  0.1946  0.9796  1.0
  Ge  Ge2  2  0.0000  0.8454  0.5022  1.0
  O  O3  4  0.2259  0.6856  0.3913  1.0
  O  O4  2  0.0000  0.1571  0.3912  1.0
  O  O5  2  0.0000  0.8373  0.8554  1.0
]