data_[Y8P16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [6.9594]
_cell_length_b [17.2811]
_cell_length_c [8.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Y2P4O13]
_chemical_formula_sum '[Y8 P16 O52]'
_cell_volume [1023.9773]
_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
[
  Y  Y0  8  0.2480  0.1486  0.1458  1
  P  P1  8  0.2239  0.4411  0.2744  1
  P  P2  8  0.2429  0.1584  0.5040  1
  O  O3  8  0.0767  0.3539  0.9012  1
  O  O4  8  0.0778  0.1626  0.3857  1
  O  O5  8  0.2014  0.0799  0.6021  1
  O  O6  8  0.2193  0.0227  0.1936  1
  O  O7  8  0.2205  0.1199  0.8909  1
  O  O8  8  0.2455  0.2757  0.1187  1
  O  O9  4  0.0000  0.4361  0.2500  1
]