data_[Bi6P6O28]
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]
_cell_length_a [12.1410]
_cell_length_b [7.1155]
_cell_length_c [6.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Bi3P3O14]
_chemical_formula_sum '[Bi6 P6 O28]'
_cell_volume [562.7780]
_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
[
  Bi  Bi0  4  0.2346  0.7624  0.6642  1
  Bi  Bi1  2  0.0000  0.4714  0.0000  1
  P  P2  4  0.2182  0.7827  0.1662  1
  P  P3  2  0.0000  0.4339  0.5000  1
  O  O4  4  0.0541  0.9660  0.7537  1
  O  O5  4  0.0630  0.5562  0.6615  1
  O  O6  4  0.0794  0.3137  0.3694  1
  O  O7  4  0.1151  0.7242  0.0376  1
  O  O8  4  0.1903  0.3154  0.9956  1
  O  O9  4  0.1962  0.9590  0.2992  1
  O  O10  4  0.2494  0.6257  0.3239  1
]