data_[Sr8Ge4Bi4Te20]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5284]
_cell_length_b [20.2641]
_cell_length_c [13.6329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GeBiTe5]
_chemical_formula_sum '[Sr8 Ge4 Bi4 Te20]'
_cell_volume [1251.0130]
_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  0.1128  0.6786  1.0
  Sr  Sr1  4  0.0000  0.1209  0.3136  1.0
  Ge  Ge2  4  0.0000  0.4381  0.4403  1.0
  Bi  Bi3  4  0.0000  0.2123  0.0263  1.0
  Te  Te4  4  0.0000  0.0450  0.0573  1.0
  Te  Te5  4  0.0000  0.2815  0.6838  1.0
  Te  Te6  4  0.0000  0.3141  0.3617  1.0
  Te  Te7  4  0.0000  0.3598  0.9986  1.0
  Te  Te8  4  0.0000  0.4983  0.7638  1.0
]