data_[K2Er2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [5.8739]
_cell_length_b [5.9757]
_cell_length_c [7.4620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KErTiO4]
_chemical_formula_sum '[K2 Er2 Ti2 O8]'
_cell_volume [247.4099]
_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
[
  K  K0  2  0.3170  0.2500  0.0665  1.0
  Er  Er1  2  0.1850  0.2500  0.5406  1.0
  Ti  Ti2  2  0.2714  0.7500  0.3406  1.0
  O  O3  4  0.0494  0.5224  0.3295  1.0
  O  O4  2  0.4749  0.7500  0.2010  1.0
  O  O5  2  0.4931  0.7500  0.5691  1.0
]