data_[Sr16Sn4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7459]
_cell_length_b [5.6113]
_cell_length_c [7.7533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Sn2Ge]
_chemical_formula_sum '[Sr16 Sn4 Ge2]'
_cell_volume [874.9683]
_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  0.0303  0.0000  0.7945  1.0
  Sr  Sr1  4  0.0922  0.5000  0.4275  1.0
  Sr  Sr2  4  0.1555  0.5000  0.9588  1.0
  Sr  Sr3  4  0.2129  0.0000  0.3073  1.0
  Sn  Sn4  4  0.1904  0.0000  0.7252  1.0
  Ge  Ge5  2  0.0000  0.5000  0.0000  1.0
]