data_[Li4Pr8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2380]
_cell_length_b [4.4540]
_cell_length_c [10.8105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PrGe)2]
_chemical_formula_sum '[Li4 Pr8 Ge8]'
_cell_volume [475.6144]
_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  4  0.2277  0.5000  0.3672  1.0
  Pr  Pr1  4  0.0107  0.0000  0.3296  1.0
  Pr  Pr2  4  0.1894  0.0000  0.0995  1.0
  Ge  Ge3  4  0.0115  0.5000  0.8843  1.0
  Ge  Ge4  4  0.1327  0.5000  0.5727  1.0
]