data_[Ga16Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [2.8601]
_cell_length_b [15.8126]
_cell_length_c [7.6542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8Ge]
_chemical_formula_sum '[Ga16 Ge2]'
_cell_volume [342.7045]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  8  0.1641  0.3286  0.3333  1
  Ga  Ga1  4  0.0000  0.1699  0.0000  1
  Ga  Ga2  4  0.1680  0.5000  0.3285  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]