data_[Sr8Ge4Te4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6204]
_cell_length_b [17.5475]
_cell_length_c [12.8466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GeTeSe5]
_chemical_formula_sum '[Sr8 Ge4 Te4 Se20]'
_cell_volume [1041.5470]
_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  0.1061  0.6969  1.0
  Sr  Sr1  4  0.0000  0.1288  0.3473  1.0
  Ge  Ge2  4  0.0000  0.4427  0.4286  1.0
  Te  Te3  4  0.0000  0.2108  0.0530  1.0
  Se  Se4  4  0.0000  0.0310  0.0081  1.0
  Se  Se5  4  0.0000  0.2885  0.6584  1.0
  Se  Se6  4  0.0000  0.3179  0.3434  1.0
  Se  Se7  4  0.0000  0.3574  0.0202  1.0
  Se  Se8  4  0.0000  0.4828  0.7680  1.0
]