data_[Sn16Bi16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.1280]
_cell_length_b [7.5616]
_cell_length_c [13.1281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sn2Bi2O7]
_chemical_formula_sum '[Sn16 Bi16 O56]'
_cell_volume [1226.9737]
_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
[
  Sn  Sn0  4  0.0005  0.2517  0.2522  1
  Sn  Sn1  4  0.2496  0.0028  0.2498  1
  Sn  Sn2  4  0.2516  0.2497  0.5041  1
  Sn  Sn3  4  0.2529  0.4999  0.7572  1
  Bi  Bi4  4  0.0103  0.0176  0.4915  1
  Bi  Bi5  4  0.0220  0.2527  0.7514  1
  Bi  Bi6  4  0.2529  0.2817  0.0194  1
  Bi  Bi7  4  0.4779  0.9860  0.9903  1
  O  O8  4  0.0681  0.2516  0.9373  1
  O  O9  4  0.0846  0.0422  0.2157  1
  O  O10  4  0.0871  0.2421  0.4184  1
  O  O11  4  0.0875  0.4610  0.2208  1
  O  O12  4  0.2064  0.2477  0.7862  1
  O  O13  4  0.2069  0.0454  0.5855  1
  O  O14  4  0.2201  0.4565  0.5921  1
  O  O15  4  0.2843  0.7473  0.7076  1
  O  O16  4  0.2891  0.4599  0.4215  1
  O  O17  4  0.2953  0.9430  0.9141  1
  O  O18  4  0.4144  0.0479  0.7965  1
  O  O19  4  0.4157  0.2338  0.5888  1
  O  O20  4  0.4167  0.4490  0.7996  1
  O  O21  4  0.4419  0.2474  0.0613  1
]