data_[Sr16Si4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2455]
_cell_length_b [5.3898]
_cell_length_c [7.6596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Si2Ge]
_chemical_formula_sum '[Sr16 Si4 Ge2]'
_cell_volume [819.1632]
_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
[
  Sr  Sr0  4  0.0393  0.0000  0.7963  1
  Sr  Sr1  4  0.0904  0.5000  0.4304  1
  Sr  Sr2  4  0.1646  0.5000  0.9644  1
  Sr  Sr3  4  0.2145  0.0000  0.3287  1
  Si  Si4  4  0.1968  0.0000  0.7314  1
  Ge  Ge5  2  0.0000  0.5000  0.0000  1
]