data_[Er8Ti4O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.6129]
_cell_length_b [5.3078]
_cell_length_c [7.6619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er2TiO5]
_chemical_formula_sum '[Er8 Ti4 O20]'
_cell_volume [427.8676]
_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
[
  Er  Er0  4  0.1398  0.4915  0.7481  1.0
  Er  Er1  4  0.3652  0.0029  0.7516  1.0
  Ti  Ti2  4  0.4992  0.4808  0.5254  1.0
  O  O3  4  0.0021  0.1839  0.2406  1.0
  O  O4  4  0.0720  0.3233  0.9566  1.0
  O  O5  4  0.1704  0.1343  0.6413  1.0
  O  O6  4  0.3307  0.3596  0.3524  1.0
  O  O7  4  0.4280  0.1869  0.0428  1.0
]