data_[Li4Cu2Ge2]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.2164]
_cell_length_b [4.2837]
_cell_length_c [5.8234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CuGe]
_chemical_formula_sum '[Li4 Cu2 Ge2]'
_cell_volume [105.1813]
_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  0.2174  0.6875  1.0
  Li  Li1  2  0.0000  0.7143  0.4376  1.0
  Cu  Cu2  2  0.0000  0.7275  0.9362  1.0
  Ge  Ge3  2  0.0000  0.2283  0.1887  1.0
]