data_[Sr8Sn4Ge4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3905]
_cell_length_b [20.6066]
_cell_length_c [13.5124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SnGeTe5]
_chemical_formula_sum '[Sr8 Sn4 Ge4 Te20]'
_cell_volume [1222.5230]
_cell_formula_units_Z [4]
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  0.0000  0.1166  0.6781  1.0
  Sr  Sr1  4  0.0000  0.1222  0.3153  1.0
  Sn  Sn2  4  0.0000  0.2134  0.0271  1.0
  Ge  Ge3  4  0.0000  0.4338  0.4379  1.0
  Te  Te4  4  0.0000  0.0439  0.0589  1.0
  Te  Te5  4  0.0000  0.2827  0.6844  1.0
  Te  Te6  4  0.0000  0.3140  0.3559  1.0
  Te  Te7  4  0.0000  0.3556  0.9990  1.0
  Te  Te8  4  0.0000  0.5000  0.2673  1.0
]