data_[Ba8Ga4Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  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 [4.4680]
_cell_length_b [21.2049]
_cell_length_c [13.4346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2GaGeTe5]
_chemical_formula_sum '[Ba8 Ga4 Ge4 Te20]'
_cell_volume [1272.8379]
_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  0.1127  0.6841  1.0
  Ba  Ba1  4  0.0000  0.1233  0.3002  1.0
  Ga  Ga2  4  0.0000  0.4283  0.4446  1.0
  Ge  Ge3  4  0.0000  0.2263  0.0246  1.0
  Te  Te4  4  0.0000  0.0483  0.0546  1.0
  Te  Te5  4  0.0000  0.2768  0.6673  1.0
  Te  Te6  4  0.0000  0.3080  0.3731  1.0
  Te  Te7  4  0.0000  0.3525  0.9940  1.0
  Te  Te8  4  0.0000  0.4968  0.2813  1.0
]