data_[Sr8In4Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  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 [4.4373]
_cell_length_b [20.4511]
_cell_length_c [13.4427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InGeTe5]
_chemical_formula_sum '[Sr8 In4 Ge4 Te20]'
_cell_volume [1219.8895]
_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  0.1075  0.6737  1.0
  Sr  Sr1  4  0.0000  0.1241  0.3047  1.0
  In  In2  4  0.0000  0.4248  0.4486  1.0
  Ge  Ge3  4  0.0000  0.2312  0.0233  1.0
  Te  Te4  4  0.0000  0.0523  0.0718  1.0
  Te  Te5  4  0.0000  0.2724  0.6706  1.0
  Te  Te6  4  0.0000  0.2953  0.3642  1.0
  Te  Te7  4  0.0000  0.3624  0.9935  1.0
  Te  Te8  4  0.0000  0.4977  0.2735  1.0
]