data_[Ba8Ga4Sb4Te20]
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
  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 [4.5474]
_cell_length_b [20.8157]
_cell_length_c [13.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2GaSbTe5]
_chemical_formula_sum '[Ba8 Ga4 Sb4 Te20]'
_cell_volume [1324.3632]
_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  0.1135  0.6846  1.0
  Ba  Ba1  4  0.0000  0.1254  0.3111  1.0
  Ga  Ga2  4  0.0000  0.4332  0.4391  1.0
  Sb  Sb3  4  0.0000  0.2117  0.0238  1.0
  Te  Te4  4  0.0000  0.0499  0.0482  1.0
  Te  Te5  4  0.0000  0.2823  0.6701  1.0
  Te  Te6  4  0.0000  0.3118  0.3687  1.0
  Te  Te7  4  0.0000  0.3509  0.9996  1.0
  Te  Te8  4  0.0000  0.4998  0.2788  1.0
]