data_[Li6Bi3P6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P3]
_cell_length_a [8.5934]
_cell_length_b [8.5934]
_cell_length_c [7.8749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Li2Bi(PO4)2]
_chemical_formula_sum '[Li6 Bi3 P6 O24]'
_cell_volume [503.6262]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.3554  0.0002  0.3654  1
  Li  Li1  1  0.0000  0.0000  0.5025  1
  Li  Li2  1  0.3333  0.6667  0.6166  1
  Li  Li3  1  0.6667  0.3333  0.5366  1
  Bi  Bi4  1  0.0000  0.0000  0.9368  1
  Bi  Bi5  1  0.3333  0.6667  0.0006  1
  Bi  Bi6  1  0.6667  0.3333  0.0614  1
  P  P7  3  0.0190  0.7114  0.2428  1
  P  P8  3  0.3648  0.0177  0.7525  1
  O  O9  3  0.0699  0.8184  0.0677  1
  O  O10  3  0.0879  0.8442  0.3896  1
  O  O11  3  0.1100  0.5934  0.2287  1
  O  O12  3  0.1882  0.4647  0.7639  1
  O  O13  3  0.2177  0.0755  0.7560  1
  O  O14  3  0.4203  0.2306  0.2529  1
  O  O15  3  0.4660  0.0934  0.5866  1
  O  O16  3  0.4894  0.0897  0.9120  1
]