data_[Cu12Bi8P8O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [P2_1/c]
_cell_length_a [9.4169]
_cell_length_b [6.1113]
_cell_length_c [19.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu3Bi2(PO7)2]
_chemical_formula_sum '[Cu12 Bi8 P8 O56]'
_cell_volume [1148.6822]
_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
[
  Cu  Cu0  4  0.2524  0.2318  0.6236  1
  Cu  Cu1  4  0.4997  0.5361  0.2490  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Cu  Cu3  2  0.0000  0.0000  0.5000  1
  Bi  Bi4  4  0.1853  0.7098  0.7096  1
  Bi  Bi5  4  0.3180  0.7461  0.0372  1
  P  P6  4  0.2027  0.2230  0.7754  1
  P  P7  4  0.2977  0.2348  0.4716  1
  O  O8  4  0.0480  0.2439  0.0574  1
  O  O9  4  0.0742  0.2224  0.8195  1
  O  O10  4  0.0748  0.7486  0.5446  1
  O  O11  4  0.1385  0.2483  0.2011  1
  O  O12  4  0.1985  0.0337  0.4587  1
  O  O13  4  0.2186  0.0429  0.9647  1
  O  O14  4  0.2427  0.5651  0.1262  1
  O  O15  4  0.2638  0.5288  0.6210  1
  O  O16  4  0.2860  0.0035  0.7817  1
  O  O17  4  0.2974  0.0723  0.2906  1
  O  O18  4  0.3647  0.2090  0.5457  1
  O  O19  4  0.4257  0.2231  0.4274  1
  O  O20  4  0.4283  0.7120  0.7039  1
  O  O21  4  0.4561  0.2183  0.6926  1
]