data_[Li5Cu2Ge4]
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 [P2/m]
_cell_length_a [7.2585]
_cell_length_b [2.8007]
_cell_length_c [8.5621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5(CuGe2)2]
_chemical_formula_sum '[Li5 Cu2 Ge4]'
_cell_volume [173.8232]
_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
[
  Li  Li0  2  0.1228  0.0000  0.1264  1
  Li  Li1  2  0.4485  0.0000  0.6571  1
  Li  Li2  1  0.5000  0.0000  0.0000  1
  Cu  Cu3  2  0.0823  0.0000  0.6348  1
  Ge  Ge4  2  0.2210  0.5000  0.8615  1
  Ge  Ge5  2  0.2298  0.5000  0.4096  1
]