# generated using pymatgen
data_LiNb(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10767400
_cell_length_b   5.04573800
_cell_length_c   11.69644613
_cell_angle_alpha   72.26211669
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb(BO3)2
_chemical_formula_sum   'Li4 Nb4 B8 O24'
_cell_volume   511.95637785
_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  1  0.96174000  0.90728300  0.90697900  1
  Li  Li1  1  0.46174000  0.09271700  0.59302100  1
  Li  Li2  1  0.53826000  0.90728300  0.40697900  1
  Li  Li3  1  0.03826000  0.09271700  0.09302100  1
  Nb  Nb4  1  0.30389100  0.99747400  0.86910000  1
  Nb  Nb5  1  0.80389100  0.00252600  0.63090000  1
  Nb  Nb6  1  0.19610900  0.99747400  0.36910000  1
  Nb  Nb7  1  0.69610900  0.00252600  0.13090000  1
  B  B8  1  0.31672300  0.44235400  0.38187600  1
  B  B9  1  0.64745800  0.98793400  0.86865600  1
  B  B10  1  0.81672300  0.55764600  0.11812400  1
  B  B11  1  0.14745800  0.01206600  0.63134400  1
  B  B12  1  0.85254200  0.98793400  0.36865600  1
  B  B13  1  0.18327700  0.44235400  0.88187600  1
  B  B14  1  0.35254200  0.01206600  0.13134400  1
  B  B15  1  0.68327700  0.55764600  0.61812400  1
  O  O16  1  0.33740700  0.88918900  0.04158000  1
  O  O17  1  0.64427200  0.30091100  0.60896200  1
  O  O18  1  0.89825700  0.79686800  0.08704600  1
  O  O19  1  0.26891200  0.07356100  0.68766800  1
  O  O20  1  0.00722500  0.07258800  0.66268600  1
  O  O21  1  0.67306500  0.60012300  0.15634200  1
  O  O22  1  0.17306500  0.39987700  0.34365800  1
  O  O23  1  0.50722500  0.92741200  0.83731400  1
  O  O24  1  0.76891200  0.92643900  0.81233200  1
  O  O25  1  0.39825700  0.20313200  0.41295400  1
  O  O26  1  0.83740700  0.11081100  0.45842000  1
  O  O27  1  0.14427200  0.69908900  0.89103800  1
  O  O28  1  0.85572800  0.30091100  0.10896200  1
  O  O29  1  0.16259300  0.88918900  0.54158000  1
  O  O30  1  0.60174300  0.79686800  0.58704600  1
  O  O31  1  0.23108800  0.07356100  0.18766800  1
  O  O32  1  0.49277500  0.07258800  0.16268600  1
  O  O33  1  0.82693500  0.60012300  0.65634200  1
  O  O34  1  0.32693500  0.39987700  0.84365800  1
  O  O35  1  0.99277500  0.92741200  0.33731400  1
  O  O36  1  0.73108800  0.92643900  0.31233200  1
  O  O37  1  0.10174300  0.20313200  0.91295400  1
  O  O38  1  0.35572800  0.69908900  0.39103800  1
  O  O39  1  0.66259300  0.11081100  0.95842000  1
