data_[Ba8Y4Tm4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6824]
_cell_length_b [14.3201]
_cell_length_c [12.3623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YTmO5]
_chemical_formula_sum '[Ba8 Y4 Tm4 O20]'
_cell_volume [651.8917]
_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  0.0895  0.6735  1.0
  Ba  Ba1  4  0.0000  0.1517  0.2959  1.0
  Y  Y2  4  0.0000  0.2228  0.0233  1.0
  Tm  Tm3  4  0.0000  0.4684  0.4509  1.0
  O  O4  4  0.0000  0.0596  0.0335  1.0
  O  O5  4  0.0000  0.2706  0.6485  1.0
  O  O6  4  0.0000  0.3104  0.4135  1.0
  O  O7  4  0.0000  0.3789  0.9991  1.0
  O  O8  4  0.0000  0.4917  0.7858  1.0
]