data_[Sr8Zn12Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.0166]
_cell_length_b [16.0425]
_cell_length_c [7.9568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Zn3Ge4]
_chemical_formula_sum '[Sr8 Zn12 Ge16]'
_cell_volume [767.9970]
_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
[
  Sr  Sr0  8  0.0000  0.1106  0.4066  1
  Zn  Zn1  8  0.2500  0.2187  0.7500  1
  Zn  Zn2  4  0.0000  0.0000  0.0000  1
  Ge  Ge3  8  0.0000  0.1858  0.0242  1
  Ge  Ge4  8  0.2500  0.0576  0.7500  1
]