data_[Ba8Ti4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4604]
_cell_length_b [20.2262]
_cell_length_c [13.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TiGaTe5]
_chemical_formula_sum '[Ba8 Ti4 Ga4 Te20]'
_cell_volume [1257.1647]
_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  0.1257  0.6949  1.0
  Ba  Ba1  4  0.0000  0.1307  0.3124  1.0
  Ti  Ti2  4  0.0000  0.2110  0.0240  1.0
  Ga  Ga3  4  0.0000  0.4355  0.4348  1.0
  Te  Te4  4  0.0000  0.0603  0.0456  1.0
  Te  Te5  4  0.0000  0.2955  0.6513  1.0
  Te  Te6  4  0.0000  0.3060  0.3833  1.0
  Te  Te7  4  0.0000  0.3458  0.0059  1.0
  Te  Te8  4  0.0000  0.4994  0.2719  1.0
]