data_[Y2Br6O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8899]
_cell_length_b [8.4380]
_cell_length_c [10.2686]
_cell_angle_alpha [105.8607]
_cell_angle_beta [107.1955]
_cell_angle_gamma [90.3631]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YBr3O10]
_chemical_formula_sum '[Y2 Br6 O20]'
_cell_volume [546.1197]
_cell_formula_units_Z [2]
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
[
  Y  Y0  2  0.1902  0.7566  0.2318  1
  Br  Br1  2  0.1391  0.5519  0.7115  1
  Br  Br2  2  0.2563  0.3314  0.0395  1
  Br  Br3  2  0.2616  0.1135  0.5810  1
  O  O4  2  0.0074  0.6731  0.9937  1
  O  O5  2  0.0334  0.3439  0.6880  1
  O  O6  2  0.0365  0.0520  0.8448  1
  O  O7  2  0.0912  0.9228  0.7487  1
  O  O8  2  0.2416  0.8479  0.8109  1
  O  O9  2  0.2693  0.9284  0.4570  1
  O  O10  2  0.3262  0.4357  0.3858  1
  O  O11  2  0.3489  0.5316  0.1454  1
  O  O12  2  0.3894  0.2992  0.3489  1
  O  O13  2  0.4767  0.1433  0.7272  1
]