data_[Bi8P16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8859]
_cell_length_b [6.8300]
_cell_length_c [13.1829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi2P4O13]
_chemical_formula_sum '[Bi8 P16 O52]'
_cell_volume [1023.3349]
_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
[
  Bi  Bi0  8  0.1904  0.4985  0.0537  1
  P  P1  8  0.0093  0.1395  0.3636  1
  P  P2  8  0.2368  0.0043  0.1627  1
  O  O3  8  0.0006  0.3035  0.4377  1
  O  O4  8  0.1013  0.0029  0.6611  1
  O  O5  8  0.1109  0.0012  0.8963  1
  O  O6  8  0.1888  0.4927  0.7229  1
  O  O7  8  0.2424  0.3195  0.9011  1
  O  O8  8  0.2453  0.3231  0.3989  1
  O  O9  4  0.0000  0.2361  0.2500  1
]