data_[Li8Ni8Ge16]
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 [Immm]
_cell_length_a [4.2469]
_cell_length_b [8.5115]
_cell_length_c [14.6814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LiNiGe2]
_chemical_formula_sum '[Li8 Ni8 Ge16]'
_cell_volume [530.6915]
_cell_formula_units_Z [8]
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  0.0000  0.2930  0.0000  1
  Li  Li1  4  0.0000  0.5000  0.2014  1
  Ni  Ni2  8  0.0000  0.2448  0.6525  1
  Ge  Ge3  8  0.0000  0.1536  0.1903  1
  Ge  Ge4  4  0.0000  0.0000  0.4172  1
  Ge  Ge5  4  0.0000  0.5000  0.4126  1
]