data_[Ti8Be12Zn4Si12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1998]
_cell_length_b [7.6188]
_cell_length_c [16.3668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti2Be3Zn(SiO4)3]
_chemical_formula_sum '[Ti8 Be12 Zn4 Si12 O48]'
_cell_volume [886.1907]
_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
[
  Ti  Ti0  4  0.1645  0.0568  0.9111  1
  Ti  Ti1  4  0.1740  0.0666  0.4236  1
  Be  Be2  4  0.1657  0.6537  0.0943  1
  Be  Be3  4  0.1885  0.1467  0.2637  1
  Be  Be4  4  0.4742  0.1487  0.0840  1
  Zn  Zn5  4  0.4965  0.0911  0.7500  1
  Si  Si6  4  0.1416  0.2358  0.5915  1
  Si  Si7  4  0.1868  0.7356  0.7700  1
  Si  Si8  4  0.4615  0.7344  0.5716  1
  O  O9  4  0.0430  0.2354  0.9766  1
  O  O10  4  0.0469  0.2412  0.2984  1
  O  O11  4  0.0745  0.1279  0.1474  1
  O  O12  4  0.0869  0.0359  0.6093  1
  O  O13  4  0.2224  0.5415  0.8202  1
  O  O14  4  0.2620  0.7401  0.6939  1
  O  O15  4  0.2870  0.6257  0.0396  1
  O  O16  4  0.2930  0.6218  0.3551  1
  O  O17  4  0.3643  0.5374  0.5415  1
  O  O18  4  0.3691  0.2466  0.6308  1
  O  O19  4  0.3855  0.2439  0.8151  1
  O  O20  4  0.4110  0.2406  0.4813  1
]