data_[Y2Ti2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6810]
_cell_length_b [8.6808]
_cell_length_c [4.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YTiSi2O7]
_chemical_formula_sum '[Y2 Ti2 Si4 O14]'
_cell_volume [268.2771]
_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  0.0000  0.3010  0.5000  1.0
  Ti  Ti1  2  0.0000  0.6830  0.5000  1.0
  Si  Si2  4  0.2202  0.0052  0.9120  1.0
  O  O3  4  0.1181  0.4986  0.7826  1.0
  O  O4  4  0.2088  0.8446  0.7270  1.0
  O  O5  4  0.2356  0.6514  0.2949  1.0
  O  O6  2  0.0000  0.0557  0.0000  1.0
]