data_[Li4Sc2Nb4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.9121]
_cell_length_b [3.8212]
_cell_length_c [4.0813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2ScNb2O7]
_chemical_formula_sum '[Li4 Sc2 Nb4 O14]'
_cell_volume [293.7342]
_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
[
  Li  Li0  2  0.2323  0.5000  0.2296  1
  Li  Li1  2  0.2682  0.0000  0.7494  1
  Sc  Sc2  2  0.0237  0.0000  0.2202  1
  Nb  Nb3  2  0.1151  0.5000  0.6908  1
  Nb  Nb4  2  0.3823  0.0000  0.3295  1
  O  O5  2  0.0732  0.0000  0.7129  1
  O  O6  2  0.1192  0.5000  0.1846  1
  O  O7  2  0.2146  0.5000  0.7216  1
  O  O8  2  0.2812  0.0000  0.2490  1
  O  O9  2  0.3786  0.0000  0.7849  1
  O  O10  2  0.4106  0.5000  0.2582  1
  O  O11  2  0.4977  0.0000  0.3692  1
]