data_[Na8Ti4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.8606]
_cell_length_b [19.4629]
_cell_length_c [14.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2TiGaTe5]
_chemical_formula_sum '[Na8 Ti4 Ga4 Te20]'
_cell_volume [1122.9040]
_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
[
  Na  Na0  4  0.0000  0.1074  0.6605  1.0
  Na  Na1  4  0.0000  0.1251  0.3187  1.0
  Ti  Ti2  4  0.0000  0.2212  0.0423  1.0
  Ga  Ga3  4  0.0000  0.4256  0.4201  1.0
  Te  Te4  4  0.0000  0.0677  0.0414  1.0
  Te  Te5  4  0.0000  0.2815  0.6721  1.0
  Te  Te6  4  0.0000  0.2902  0.4000  1.0
  Te  Te7  4  0.0000  0.3547  0.9976  1.0
  Te  Te8  4  0.0000  0.4945  0.2712  1.0
]