data_[Ba2Y8Si10O34]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5321]
_cell_length_b [19.7032]
_cell_length_c [6.8769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaY4Si5O17]
_chemical_formula_sum '[Ba2 Y8 Si10 O34]'
_cell_volume [718.6880]
_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
[
  Ba  Ba0  2  0.2401  0.2500  0.3155  1
  Y  Y1  4  0.2998  0.0397  0.6187  1
  Y  Y2  4  0.3516  0.6585  0.0175  1
  Si  Si3  4  0.1985  0.0610  0.0975  1
  Si  Si4  4  0.2300  0.6361  0.4940  1
  Si  Si5  2  0.0674  0.2500  0.7815  1
  O  O6  4  0.0237  0.1829  0.6302  1
  O  O7  4  0.0460  0.1293  0.1185  1
  O  O8  4  0.1048  0.5631  0.5219  1
  O  O9  4  0.3636  0.6751  0.7034  1
  O  O10  4  0.3722  0.0729  0.9420  1
  O  O11  4  0.3770  0.0344  0.3154  1
  O  O12  4  0.4219  0.6307  0.3514  1
  O  O13  2  0.0000  0.0000  0.0000  1
  O  O14  2  0.1329  0.7500  0.0853  1
  O  O15  2  0.3599  0.2500  0.9202  1
]