data_[Li6Ni4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1688]
_cell_length_b [4.0142]
_cell_length_c [7.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(NiGe2)2]
_chemical_formula_sum '[Li6 Ni4 Ge8]'
_cell_volume [296.6421]
_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  0.1134  0.5000  0.6906  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.1928  0.5000  0.3766  1
  Ge  Ge3  4  0.0897  0.0000  0.4079  1
  Ge  Ge4  4  0.2276  0.5000  0.0874  1
]