# generated using pymatgen
data_LiNd6B3O13F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02314340
_cell_length_b   7.02314340
_cell_length_c   16.19129550
_cell_angle_alpha   77.35449286
_cell_angle_beta   77.35449286
_cell_angle_gamma   59.84316462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNd6B3O13F2
_chemical_formula_sum   'Li2 Nd12 B6 O26 F4'
_cell_volume   668.14574271
_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  1  0.08094900  0.91905100  0.75000000  1
  Li  Li1  1  0.91905100  0.08094900  0.25000000  1
  Nd  Nd2  1  0.69457700  0.86675500  0.90427800  1
  Nd  Nd3  1  0.13324500  0.30542300  0.59572200  1
  Nd  Nd4  1  0.30542300  0.13324500  0.09572200  1
  Nd  Nd5  1  0.86675500  0.69457700  0.40427800  1
  Nd  Nd6  1  0.03589800  0.23106600  0.88889400  1
  Nd  Nd7  1  0.76893400  0.96410200  0.61110600  1
  Nd  Nd8  1  0.96410200  0.76893400  0.11110600  1
  Nd  Nd9  1  0.23106600  0.03589800  0.38889400  1
  Nd  Nd10  1  0.38098100  0.52111600  0.90057600  1
  Nd  Nd11  1  0.47888400  0.61901900  0.59942400  1
  Nd  Nd12  1  0.61901900  0.47888400  0.09942400  1
  Nd  Nd13  1  0.52111600  0.38098100  0.40057600  1
  B  B14  1  0.08503000  0.55385900  0.74913400  1
  B  B15  1  0.44614100  0.91497000  0.75086600  1
  B  B16  1  0.91497000  0.44614100  0.25086600  1
  B  B17  1  0.55385900  0.08503000  0.24913400  1
  B  B18  1  0.71439400  0.28560600  0.75000000  1
  B  B19  1  0.28560600  0.71439400  0.25000000  1
  O  O20  1  0.78918600  0.16204600  0.82742700  1
  O  O21  1  0.83795400  0.21081400  0.67257300  1
  O  O22  1  0.21081400  0.83795400  0.17257300  1
  O  O23  1  0.16204600  0.78918600  0.32742700  1
  O  O24  1  0.30640500  0.89389500  0.82315000  1
  O  O25  1  0.10610500  0.69359500  0.67685000  1
  O  O26  1  0.69359500  0.10610500  0.17685000  1
  O  O27  1  0.89389500  0.30640500  0.32315000  1
  O  O28  1  0.08725300  0.36174400  0.74238500  1
  O  O29  1  0.63825600  0.91274700  0.75761500  1
  O  O30  1  0.91274700  0.63825600  0.25761500  1
  O  O31  1  0.36174400  0.08725300  0.24238500  1
  O  O32  1  0.51931500  0.48068500  0.75000000  1
  O  O33  1  0.48068500  0.51931500  0.25000000  1
  O  O34  1  0.05740500  0.60634100  0.83128600  1
  O  O35  1  0.39365900  0.94259500  0.66871400  1
  O  O36  1  0.94259500  0.39365900  0.16871400  1
  O  O37  1  0.60634100  0.05740500  0.33128600  1
  O  O38  1  0.35304200  0.18479000  0.93991000  1
  O  O39  1  0.81521000  0.64695800  0.56009000  1
  O  O40  1  0.64695800  0.81521000  0.06009000  1
  O  O41  1  0.18479000  0.35304200  0.43991000  1
  O  O42  1  0.52273400  0.68532500  0.44118700  1
  O  O43  1  0.31467500  0.47726600  0.05881300  1
  O  O44  1  0.47726600  0.31467500  0.55881300  1
  O  O45  1  0.68532500  0.52273400  0.94118700  1
  F  F46  1  0.98435800  0.15017000  0.04521900  1
  F  F47  1  0.84983000  0.01564200  0.45478100  1
  F  F48  1  0.01564200  0.84983000  0.95478100  1
  F  F49  1  0.15017000  0.98435800  0.54521900  1
