data_[Zn18Ga36Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0883]
_cell_length_b [11.0883]
_cell_length_c [10.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn6Ga12Ge]
_chemical_formula_sum '[Zn18 Ga36 Ge3]'
_cell_volume [1082.6894]
_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
[
  Zn  Zn0  18  0.0297  0.1516  0.7017  1.0
  Ga  Ga1  18  0.0641  0.4626  0.6043  1.0
  Ga  Ga2  18  0.0653  0.2643  0.4418  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0000  1.0
]