data_[Ba8Tm4Cd4Te20]
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
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5771]
_cell_length_b [20.3954]
_cell_length_c [14.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TmCdTe5]
_chemical_formula_sum '[Ba8 Tm4 Cd4 Te20]'
_cell_volume [1318.8630]
_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  0.1173  0.6894  1.0
  Ba  Ba1  4  0.0000  0.1282  0.3167  1.0
  Tm  Tm2  4  0.0000  0.2063  0.0169  1.0
  Cd  Cd3  4  0.0000  0.4429  0.4405  1.0
  Te  Te4  4  0.0000  0.0567  0.0588  1.0
  Te  Te5  4  0.0000  0.2913  0.6619  1.0
  Te  Te6  4  0.0000  0.3044  0.3681  1.0
  Te  Te7  4  0.0000  0.3532  0.0068  1.0
  Te  Te8  4  0.0000  0.4967  0.7649  1.0
]