data_[Ba8Tm4Al4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4912]
_cell_length_b [20.5421]
_cell_length_c [14.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TmAlTe5]
_chemical_formula_sum '[Ba8 Tm4 Al4 Te20]'
_cell_volume [1319.1961]
_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  0.1225  0.6868  1.0
  Ba  Ba1  4  0.0000  0.1250  0.3233  1.0
  Tm  Tm2  4  0.0000  0.2055  0.0263  1.0
  Al  Al3  4  0.0000  0.4355  0.4297  1.0
  Te  Te4  4  0.0000  0.0493  0.0367  1.0
  Te  Te5  4  0.0000  0.2955  0.6684  1.0
  Te  Te6  4  0.0000  0.3109  0.3741  1.0
  Te  Te7  4  0.0000  0.3497  0.0064  1.0
  Te  Te8  4  0.0000  0.4983  0.2722  1.0
]