data_[Er2Ti2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [6.6285]
_cell_length_b [8.6468]
_cell_length_c [4.6989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErTiSi2O7]
_chemical_formula_sum '[Er2 Ti2 Si4 O14]'
_cell_volume [264.4806]
_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
[
  Er  Er0  2  0.0000  0.3032  0.5000  1.0
  Ti  Ti1  2  0.0000  0.6837  0.5000  1.0
  Si  Si2  4  0.2213  0.0050  0.9106  1.0
  O  O3  4  0.1156  0.4982  0.7820  1.0
  O  O4  4  0.2129  0.8445  0.7241  1.0
  O  O5  4  0.2388  0.6529  0.2957  1.0
  O  O6  2  0.0000  0.0513  0.0000  1.0
]