# generated using pymatgen
data_Ba6Li2Ti7Nb9O42
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31530161
_cell_length_b   9.31530161
_cell_length_c   11.79164099
_cell_angle_alpha   89.95738506
_cell_angle_beta   89.95738506
_cell_angle_gamma   119.86934410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Li2Ti7Nb9O42
_chemical_formula_sum   'Ba6 Li2 Ti7 Nb9 O42'
_cell_volume   887.29599406
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.40286000  0.40286000  0.75462300  1
  Ba  Ba1  1  0.58878700  0.58878700  0.24819800  1
  Ba  Ba2  1  0.59353300  0.99973200  0.75402100  1
  Ba  Ba3  1  0.40472300  0.00472000  0.24978000  1
  Ba  Ba4  1  0.00472000  0.40472300  0.24978000  1
  Ba  Ba5  1  0.99973200  0.59353300  0.75402100  1
  Li  Li6  1  0.99947200  0.99947200  0.76553500  1
  Li  Li7  1  0.00504800  0.00504800  0.25771900  1
  Ti  Ti8  1  0.25224300  0.25224300  0.08810400  1
  Ti  Ti9  1  0.24925300  0.24925300  0.40525900  1
  Ti  Ti10  1  0.75023900  0.75023900  0.91058400  1
  Ti  Ti11  1  0.75038400  0.99920000  0.40975600  1
  Ti  Ti12  1  0.00347400  0.25009900  0.91344800  1
  Ti  Ti13  1  0.25009900  0.00347400  0.91344800  1
  Ti  Ti14  1  0.99920000  0.75038400  0.40975600  1
  Nb  Nb15  1  0.74647400  0.74647400  0.58953900  1
  Nb  Nb16  1  0.33314500  0.66252200  0.99454200  1
  Nb  Nb17  1  0.33319200  0.66698900  0.49147900  1
  Nb  Nb18  1  0.75011000  0.00149200  0.08879500  1
  Nb  Nb19  1  0.00136100  0.25219300  0.59017800  1
  Nb  Nb20  1  0.25219300  0.00136100  0.59017800  1
  Nb  Nb21  1  0.66252200  0.33314500  0.99454200  1
  Nb  Nb22  1  0.66698900  0.33319200  0.49147900  1
  Nb  Nb23  1  0.00149200  0.75011000  0.08879500  1
  O  O24  1  0.19933700  0.19933700  0.92609800  1
  O  O25  1  0.20429800  0.20429800  0.57414500  1
  O  O26  1  0.20684800  0.20684800  0.24874500  1
  O  O27  1  0.31147600  0.47993400  0.39870700  1
  O  O28  1  0.31319300  0.48025100  0.09805600  1
  O  O29  1  0.79836000  0.79836000  0.75039800  1
  O  O30  1  0.79954100  0.79954100  0.42332300  1
  O  O31  1  0.79473400  0.79473400  0.07489000  1
  O  O32  1  0.16765700  0.48024200  0.89730800  1
  O  O33  1  0.16842200  0.48415000  0.60160200  1
  O  O34  1  0.52068600  0.68868400  0.89897300  1
  O  O35  1  0.51521700  0.68419100  0.60176100  1
  O  O36  1  0.51616200  0.83057100  0.10114900  1
  O  O37  1  0.52065300  0.83261800  0.39900200  1
  O  O38  1  0.16704700  0.68823400  0.39895600  1
  O  O39  1  0.16807700  0.68269200  0.10291800  1
  O  O40  1  0.80254500  0.99942700  0.92337500  1
  O  O41  1  0.79528100  0.00008600  0.57432900  1
  O  O42  1  0.80012700  0.00047200  0.25041300  1
  O  O43  1  0.31062900  0.83246200  0.90277600  1
  O  O44  1  0.31525000  0.83136900  0.60136700  1
  O  O45  1  0.00024300  0.19879200  0.42322400  1
  O  O46  1  0.00019100  0.20300100  0.07482200  1
  O  O47  1  0.00152100  0.20192100  0.75073600  1
  O  O48  1  0.68269200  0.16807700  0.10291800  1
  O  O49  1  0.68823400  0.16704700  0.39895600  1
  O  O50  1  0.20192100  0.00152100  0.75073600  1
  O  O51  1  0.19879200  0.00024300  0.42322400  1
  O  O52  1  0.20300100  0.00019100  0.07482200  1
  O  O53  1  0.83246200  0.31062900  0.90277600  1
  O  O54  1  0.83136900  0.31525000  0.60136700  1
  O  O55  1  0.48415000  0.16842200  0.60160200  1
  O  O56  1  0.48024200  0.16765700  0.89730800  1
  O  O57  1  0.47993400  0.31147600  0.39870700  1
  O  O58  1  0.48025100  0.31319300  0.09805600  1
  O  O59  1  0.83261800  0.52065300  0.39900200  1
  O  O60  1  0.83057100  0.51616200  0.10114900  1
  O  O61  1  0.68419100  0.51521700  0.60176100  1
  O  O62  1  0.68868300  0.52068600  0.89897300  1
  O  O63  1  0.00047200  0.80012700  0.25041300  1
  O  O64  1  0.00008600  0.79528100  0.57432900  1
  O  O65  1  0.99942700  0.80254500  0.92337500  1
