data_[Sr8Al4Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  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 [4.3429]
_cell_length_b [20.4639]
_cell_length_c [13.3007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlGeTe5]
_chemical_formula_sum '[Sr8 Al4 Ge4 Te20]'
_cell_volume [1182.0559]
_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  0.1080  0.6757  1.0
  Sr  Sr1  4  0.0000  0.1226  0.3014  1.0
  Al  Al2  4  0.0000  0.4274  0.4458  1.0
  Ge  Ge3  4  0.0000  0.2271  0.0251  1.0
  Te  Te4  4  0.0000  0.0513  0.0587  1.0
  Te  Te5  4  0.0000  0.2730  0.6744  1.0
  Te  Te6  4  0.0000  0.3054  0.3695  1.0
  Te  Te7  4  0.0000  0.3585  0.9923  1.0
  Te  Te8  4  0.0000  0.4965  0.2812  1.0
]