data_[Y6Zn6Ge9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4589]
_cell_length_b [4.4589]
_cell_length_c [25.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y2Zn2Ge3]
_chemical_formula_sum '[Y6 Zn6 Ge9]'
_cell_volume [442.1068]
_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
[
  Y  Y0  3  0.0000  0.0000  0.2485  1
  Y  Y1  3  0.0000  0.0000  0.7508  1
  Zn  Zn2  3  0.0000  0.0000  0.5026  1
  Zn  Zn3  3  0.0000  0.0000  0.9949  1
  Ge  Ge4  3  0.0000  0.0000  0.1411  1
  Ge  Ge5  3  0.0000  0.0000  0.3650  1
  Ge  Ge6  3  0.0000  0.0000  0.6221  1
]