data_[Bi4P12Pb12O48]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.5874]
_cell_length_b [14.9590]
_cell_length_c [9.1330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BiP3(PbO4)3]
_chemical_formula_sum '[Bi4 P12 Pb12 O48]'
_cell_volume [1180.1648]
_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  4  0.3322  0.1659  0.0007  1
  P  P1  4  0.2471  0.3718  0.7552  1
  P  P2  4  0.3118  0.0629  0.6249  1
  P  P3  4  0.4408  0.6900  0.8700  1
  Pb  Pb4  4  0.0781  0.4270  0.0074  1
  Pb  Pb5  4  0.1045  0.2498  0.3474  1
  Pb  Pb6  4  0.4932  0.4972  0.6441  1
  O  O7  4  0.0444  0.1249  0.8474  1
  O  O8  4  0.0787  0.3457  0.5913  1
  O  O9  4  0.1612  0.0782  0.4371  1
  O  O10  4  0.2479  0.4061  0.9152  1
  O  O11  4  0.2660  0.3321  0.2392  1
  O  O12  4  0.2770  0.0760  0.7693  1
  O  O13  4  0.3031  0.4476  0.6897  1
  O  O14  4  0.3500  0.2863  0.8121  1
  O  O15  4  0.3707  0.9639  0.6477  1
  O  O16  4  0.4412  0.1262  0.6591  1
  O  O17  4  0.4657  0.2127  0.3280  1
  O  O18  4  0.4863  0.3193  0.5642  1
]