data_[Ca8P16W16O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.6070]
_cell_length_b [12.3725]
_cell_length_c [16.1630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [CaP2(WO5)2]
_chemical_formula_sum '[Ca8 P16 W16 O80]'
_cell_volume [1521.2268]
_cell_formula_units_Z [8]
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
[
  Ca  Ca0  8  0.0000  0.0000  0.0000  1
  P  P1  16  0.0000  0.0000  0.2046  1
  W  W2  16  0.1250  0.1250  0.6250  1
  O  O3  32  0.0278  0.1010  0.2615  1
  O  O4  32  0.0922  0.2335  0.3967  1
  O  O5  16  0.0000  0.0000  0.4146  1
]