data_[Ba8Ga4Sn4Te20]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5289]
_cell_length_b [21.1894]
_cell_length_c [13.7117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2GaSnTe5]
_chemical_formula_sum '[Ba8 Ga4 Sn4 Te20]'
_cell_volume [1315.8508]
_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  0.1113  0.6811  1.0
  Ba  Ba1  4  0.0000  0.1219  0.3048  1.0
  Ga  Ga2  4  0.0000  0.4307  0.4420  1.0
  Sn  Sn3  4  0.0000  0.2196  0.0253  1.0
  Te  Te4  4  0.0000  0.0512  0.0517  1.0
  Te  Te5  4  0.0000  0.2777  0.6764  1.0
  Te  Te6  4  0.0000  0.3107  0.3681  1.0
  Te  Te7  4  0.0000  0.3552  0.9948  1.0
  Te  Te8  4  0.0000  0.4972  0.2798  1.0
]