data_[Ba8Tm4Cd4O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5950]
_cell_length_b [15.1690]
_cell_length_c [11.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TmCdO5]
_chemical_formula_sum '[Ba8 Tm4 Cd4 O20]'
_cell_volume [615.7386]
_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  0.1156  0.7011  1.0
  Ba  Ba1  4  0.0000  0.1303  0.2901  1.0
  Tm  Tm2  4  0.0000  0.2181  0.0025  1.0
  Cd  Cd3  4  0.0000  0.4842  0.4776  1.0
  O  O4  4  0.0000  0.0739  0.0523  1.0
  O  O5  4  0.0000  0.2808  0.6338  1.0
  O  O6  4  0.0000  0.2963  0.3779  1.0
  O  O7  4  0.0000  0.3638  0.0049  1.0
  O  O8  4  0.0000  0.4999  0.2838  1.0
]