data_[Er2Ti2P4O16]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1486]
_cell_length_b [5.3780]
_cell_length_c [6.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTi(PO4)2]
_chemical_formula_sum '[Er2 Ti2 P4 O16]'
_cell_volume [301.5994]
_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  0.0000  0.5000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.1467  0.5000  0.7612  1.0
  O  O3  8  0.0369  0.2597  0.7674  1.0
  O  O4  4  0.2349  0.0000  0.0607  1.0
  O  O5  4  0.2351  0.5000  0.5683  1.0
]