data_[Ti2Bi12P4O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [15.4804]
_cell_length_b [5.4379]
_cell_length_c [11.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiBi6(PO8)2]
_chemical_formula_sum '[Ti2 Bi12 P4 O32]'
_cell_volume [704.3310]
_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
[
  Ti  Ti0  2  0.0000  0.2384  0.5000  1
  Bi  Bi1  4  0.0100  0.2466  0.1783  1
  Bi  Bi2  4  0.1617  0.7925  0.4868  1
  Bi  Bi3  4  0.1619  0.7481  0.1519  1
  P  P4  4  0.1431  0.7212  0.7758  1
  O  O5  4  0.0700  0.7285  0.8240  1
  O  O6  4  0.0895  0.1825  0.4472  1
  O  O7  4  0.1020  0.4846  0.6656  1
  O  O8  4  0.1128  0.9480  0.6685  1
  O  O9  4  0.1711  0.9870  0.3213  1
  O  O10  4  0.1717  0.4907  0.3234  1
  O  O11  4  0.2241  0.2025  0.0878  1
  O  O12  2  0.0000  0.5027  0.0000  1
  O  O13  2  0.0000  0.9927  0.0000  1
]