data_[Li3Zn3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2876]
_cell_length_b [4.2876]
_cell_length_c [9.4409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiZnGe]
_chemical_formula_sum '[Li3 Zn3 Ge3]'
_cell_volume [150.3059]
_cell_formula_units_Z [3]
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  1  0.3333  0.6667  0.1675  1.0
  Li  Li1  1  0.3333  0.6667  0.4998  1.0
  Li  Li2  1  0.3333  0.6667  0.8319  1.0
  Zn  Zn3  1  0.0000  0.0000  0.9809  1.0
  Zn  Zn4  1  0.6667  0.3333  0.2936  1.0
  Zn  Zn5  1  0.6667  0.3333  0.7059  1.0
  Ge  Ge6  1  0.0000  0.0000  0.3640  1.0
  Ge  Ge7  1  0.0000  0.0000  0.6354  1.0
  Ge  Ge8  1  0.6667  0.3333  0.0010  1.0
]