data_[Ba8Y4Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [4.7417]
_cell_length_b [20.3941]
_cell_length_c [13.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YGeTe5]
_chemical_formula_sum '[Ba8 Y4 Ge4 Te20]'
_cell_volume [1340.0198]
_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
[
  Ba  Ba0  4  0.0000  0.1204  0.6861  1.0
  Ba  Ba1  4  0.0000  0.1230  0.3198  1.0
  Y  Y2  4  0.0000  0.2070  0.0242  1.0
  Ge  Ge3  4  0.0000  0.4391  0.4413  1.0
  Te  Te4  4  0.0000  0.0487  0.0401  1.0
  Te  Te5  4  0.0000  0.2948  0.6683  1.0
  Te  Te6  4  0.0000  0.3138  0.3706  1.0
  Te  Te7  4  0.0000  0.3535  0.0042  1.0
  Te  Te8  4  0.0000  0.4990  0.2693  1.0
]