data_[La4Zn8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7379]
_cell_length_b [4.2932]
_cell_length_c [11.0756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La(ZnGe)2]
_chemical_formula_sum '[La4 Zn8 Ge8]'
_cell_volume [415.4838]
_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
[
  La  La0  4  0.2219  0.2500  0.1767  1
  Zn  Zn1  4  0.0778  0.2500  0.4556  1
  Zn  Zn2  4  0.1101  0.2500  0.8621  1
  Ge  Ge3  4  0.0378  0.7500  0.3304  1
  Ge  Ge4  4  0.1325  0.7500  0.9748  1
]