data_[Li8Zr8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9685]
_cell_length_b [17.4782]
_cell_length_c [6.7810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2Zr2Ge3]
_chemical_formula_sum '[Li8 Zr8 Ge12]'
_cell_volume [470.3420]
_cell_formula_units_Z [4]
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  8  0.0000  0.1928  0.5637  1
  Zr  Zr1  4  0.0000  0.3496  0.7500  1
  Zr  Zr2  4  0.0000  0.4492  0.2500  1
  Ge  Ge3  8  0.0000  0.0665  0.0553  1
  Ge  Ge4  4  0.0000  0.2756  0.2500  1
]