data_[Li4Nb28O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8711]
_cell_length_b [9.6035]
_cell_length_c [10.4079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNb7O12]
_chemical_formula_sum '[Li4 Nb28 O48]'
_cell_volume [1050.7210]
_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
[
  Li  Li0  4  0.4195  0.0693  0.5276  1
  Nb  Nb1  4  0.0007  0.6094  0.1584  1
  Nb  Nb2  4  0.1455  0.6296  0.4623  1
  Nb  Nb3  4  0.1498  0.1316  0.1179  1
  Nb  Nb4  4  0.2784  0.1191  0.9074  1
  Nb  Nb5  4  0.2825  0.6227  0.7448  1
  Nb  Nb6  4  0.4127  0.6298  0.5368  1
  Nb  Nb7  4  0.4217  0.1226  0.1896  1
  O  O8  4  0.0003  0.2340  0.1779  1
  O  O9  4  0.1355  0.7484  0.6257  1
  O  O10  4  0.1381  0.5053  0.2854  1
  O  O11  4  0.1396  0.2493  0.4472  1
  O  O12  4  0.1401  0.0079  0.2886  1
  O  O13  4  0.2800  0.7493  0.9123  1
  O  O14  4  0.2861  0.2482  0.7337  1
  O  O15  4  0.4238  0.0021  0.3540  1
  O  O16  4  0.4256  0.7453  0.7031  1
  O  O17  4  0.4289  0.2378  0.0183  1
  O  O18  4  0.4303  0.5030  0.3662  1
  O  O19  2  0.0000  0.0000  0.0000  1
  O  O20  2  0.0000  0.0000  0.5000  1
]