data_[Cr16Bi8O58]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0689]
_cell_length_b [13.3649]
_cell_length_c [18.7540]
_cell_angle_alpha [95.5534]
_cell_angle_beta [93.4019]
_cell_angle_gamma [90.9195]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cr8Bi4O29]
_chemical_formula_sum '[Cr16 Bi8 O58]'
_cell_volume [1261.9921]
_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
[
  Cr  Cr0  2  0.1699  0.8782  0.7668  1
  Cr  Cr1  2  0.2010  0.6086  0.9566  1
  Cr  Cr2  2  0.2160  0.1107  0.4584  1
  Cr  Cr3  2  0.2634  0.8875  0.0480  1
  Cr  Cr4  2  0.2750  0.3889  0.5458  1
  Cr  Cr5  2  0.2946  0.3787  0.2681  1
  Cr  Cr6  2  0.2990  0.6177  0.2444  1
  Cr  Cr7  2  0.3214  0.1205  0.7431  1
  Bi  Bi8  2  0.2245  0.8068  0.4031  1
  Bi  Bi9  2  0.2370  0.3054  0.9019  1
  Bi  Bi10  2  0.2695  0.6980  0.5912  1
  Bi  Bi11  2  0.3130  0.2039  0.0899  1
  O  O12  2  0.0589  0.6707  0.2004  1
  O  O13  2  0.0643  0.8157  0.5270  1
  O  O14  2  0.0819  0.8976  0.9740  1
  O  O15  2  0.0822  0.3217  0.0291  1
  O  O16  2  0.0891  0.3981  0.4711  1
  O  O17  2  0.0901  0.8226  0.1011  1
  O  O18  2  0.0969  0.3291  0.6004  1
  O  O19  2  0.1000  0.1723  0.6912  1
  O  O20  2  0.1246  0.4935  0.9221  1
  O  O21  2  0.1300  0.9955  0.4261  1
  O  O22  2  0.1698  0.8223  0.6832  1
  O  O23  2  0.1753  0.0156  0.7718  1
  O  O24  2  0.1759  0.3111  0.1935  1
  O  O25  2  0.1796  0.5039  0.2707  1
  O  O26  2  0.1966  0.3295  0.3392  1
  O  O27  2  0.2687  0.8347  0.8448  1
  O  O28  2  0.3489  0.9994  0.0868  1
  O  O29  2  0.3646  0.6090  0.0355  1
  O  O30  2  0.3671  0.5013  0.5821  1
  O  O31  2  0.3792  0.1106  0.5376  1
  O  O32  2  0.3857  0.6232  0.7268  1
  O  O33  2  0.3901  0.6630  0.9016  1
  O  O34  2  0.4010  0.6912  0.3180  1
  O  O35  2  0.4033  0.1632  0.4029  1
  O  O36  2  0.4129  0.1954  0.8175  1
  O  O37  2  0.4212  0.9066  0.3032  1
  O  O38  2  0.4473  0.6815  0.4765  1
  O  O39  2  0.4538  0.1817  0.9762  1
  O  O40  2  0.4582  0.4028  0.8078  1
]