data_[Sr8Ge4Sb4Te20]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4949]
_cell_length_b [20.1559]
_cell_length_c [13.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GeSbTe5]
_chemical_formula_sum '[Sr8 Ge4 Sb4 Te20]'
_cell_volume [1230.2389]
_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  0.1122  0.6793  1.0
  Sr  Sr1  4  0.0000  0.1224  0.3106  1.0
  Ge  Ge2  4  0.0000  0.4358  0.4424  1.0
  Sb  Sb3  4  0.0000  0.2132  0.0248  1.0
  Te  Te4  4  0.0000  0.0468  0.0620  1.0
  Te  Te5  4  0.0000  0.2800  0.6785  1.0
  Te  Te6  4  0.0000  0.3108  0.3628  1.0
  Te  Te7  4  0.0000  0.3569  0.9976  1.0
  Te  Te8  4  0.0000  0.4988  0.7660  1.0
]