# generated using pymatgen
data_Li7Ca8Nb12O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58942400
_cell_length_b   5.58920173
_cell_length_c   26.75144972
_cell_angle_alpha   89.98388534
_cell_angle_beta   89.68174238
_cell_angle_gamma   89.95490516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Ca8Nb12O40
_chemical_formula_sum   'Li7 Ca8 Nb12 O40'
_cell_volume   835.71329567
_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
  Li  Li0  1  0.24797000  0.25502800  0.24922100  1
  Li  Li1  1  0.25211400  0.75746300  0.26067600  1
  Li  Li2  1  0.25148500  0.74280700  0.75949700  1
  Li  Li3  1  0.74968400  0.75447000  0.24930100  1
  Li  Li4  1  0.74882900  0.25558000  0.23985800  1
  Li  Li5  1  0.74643400  0.24241000  0.74003600  1
  Li  Li6  1  0.75136700  0.74469700  0.75068500  1
  Ca  Ca7  1  0.01043400  0.99115700  0.41768500  1
  Ca  Ca8  1  0.00865100  0.50833200  0.91594400  1
  Ca  Ca9  1  0.48994400  0.51164000  0.42149100  1
  Ca  Ca10  1  0.51012600  0.01148100  0.07839500  1
  Ca  Ca11  1  0.49000100  0.98715200  0.91952500  1
  Ca  Ca12  1  0.51134600  0.48828900  0.58050100  1
  Ca  Ca13  1  0.98958600  0.49104900  0.08234400  1
  Ca  Ca14  1  0.99002300  0.00729700  0.58397400  1
  Nb  Nb15  1  0.00528300  0.00071200  0.15375800  1
  Nb  Nb16  1  0.99954900  0.49947900  0.50021600  1
  Nb  Nb17  1  0.00627700  0.49976300  0.65532700  1
  Nb  Nb18  1  0.00045800  0.99949200  0.99974500  1
  Nb  Nb19  1  0.49785700  0.50819300  0.15375000  1
  Nb  Nb20  1  0.49676900  0.99019100  0.65525200  1
  Nb  Nb21  1  0.50047600  0.00041300  0.50022500  1
  Nb  Nb22  1  0.50224300  0.00869800  0.34618500  1
  Nb  Nb23  1  0.49943600  0.50043700  0.99975600  1
  Nb  Nb24  1  0.50299500  0.49035900  0.84471100  1
  Nb  Nb25  1  0.99477500  0.50113300  0.34611600  1
  Nb  Nb26  1  0.99388600  0.00035300  0.84466600  1
  O  O27  1  0.03036600  0.97611300  0.22431500  1
  O  O28  1  0.01556600  0.54767300  0.72333500  1
  O  O29  1  0.05019000  0.56235400  0.42702500  1
  O  O30  1  0.05086200  0.93652500  0.92877800  1
  O  O31  1  0.19568700  0.69605200  0.01675500  1
  O  O32  1  0.19438700  0.80525400  0.51512100  1
  O  O33  1  0.24652000  0.25431300  0.35973400  1
  O  O34  1  0.25100000  0.25643600  0.14047600  1
  O  O35  1  0.24923000  0.75430300  0.34036100  1
  O  O36  1  0.25371400  0.75615000  0.13064600  1
  O  O37  1  0.24667400  0.24597200  0.86113200  1
  O  O38  1  0.25153200  0.24392400  0.63880600  1
  O  O39  1  0.24936600  0.74612300  0.84148900  1
  O  O40  1  0.25333700  0.74384100  0.63045100  1
  O  O41  1  0.31061000  0.31115200  0.49920200  1
  O  O42  1  0.31085200  0.18970700  0.00100400  1
  O  O43  1  0.43899600  0.95174600  0.42704000  1
  O  O44  1  0.43822100  0.55001700  0.92881900  1
  O  O45  1  0.47142300  0.53511100  0.22431600  1
  O  O46  1  0.48662400  0.94224200  0.72333900  1
  O  O47  1  0.52789300  0.03422700  0.27556700  1
  O  O48  1  0.55160400  0.47906100  0.77662500  1
  O  O49  1  0.56148300  0.45153800  0.07296900  1
  O  O50  1  0.56218100  0.04866500  0.57122400  1
  O  O51  1  0.68876200  0.68934900  0.49900400  1
  O  O52  1  0.68976100  0.81084300  0.00083200  1
  O  O53  1  0.74654000  0.25621200  0.36909500  1
  O  O54  1  0.75050300  0.25368600  0.15967300  1
  O  O55  1  0.74871300  0.75641300  0.35976200  1
  O  O56  1  0.75383600  0.75364600  0.14058700  1
  O  O57  1  0.74640900  0.24396100  0.86965900  1
  O  O58  1  0.75072900  0.24566600  0.65840800  1
  O  O59  1  0.74855300  0.74395900  0.86184000  1
  O  O60  1  0.75310800  0.74530400  0.63793200  1
  O  O61  1  0.80451800  0.19587400  0.48340200  1
  O  O62  1  0.80539600  0.30502600  0.98476400  1
  O  O63  1  0.94946600  0.06242000  0.07297900  1
  O  O64  1  0.94846600  0.43732800  0.57122100  1
  O  O65  1  0.96979000  0.47587800  0.27559300  1
  O  O66  1  0.94673400  0.01026200  0.77666900  1
