# generated using pymatgen data_Li6TiCr3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48846556 _cell_length_b 8.56970548 _cell_length_c 8.55075336 _cell_angle_alpha 61.47945348 _cell_angle_beta 61.62668648 _cell_angle_gamma 61.73587734 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6TiCr3(PO4)6 _chemical_formula_sum 'Li6 Ti1 Cr3 P6 O24' _cell_volume 455.74761445 _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 0.02709000 0.00555200 0.99731400 1.0 Li Li1 1 0.74923900 0.15255300 0.34931300 1.0 Li Li2 1 0.47434400 0.50359000 0.49639800 1.0 Li Li3 1 0.26504800 0.84555000 0.65799700 1.0 Li Li4 1 0.65838000 0.26419500 0.83991200 1.0 Li Li5 1 0.84226500 0.65936700 0.26193000 1.0 Ti Ti6 1 0.85362900 0.85271300 0.85160700 1.0 Cr Cr7 1 0.14225800 0.14531300 0.13913100 1.0 Cr Cr8 1 0.35832700 0.36129600 0.35541100 1.0 Cr Cr9 1 0.64430900 0.64699200 0.64625600 1.0 P P10 1 0.04959000 0.74930300 0.44699300 1.0 P P11 1 0.44586500 0.05097300 0.74835500 1.0 P P12 1 0.74981400 0.45044300 0.04598400 1.0 P P13 1 0.25082000 0.53905000 0.96048000 1.0 P P14 1 0.54119300 0.96415400 0.25111500 1.0 P P15 1 0.95839300 0.24954700 0.53477800 1.0 O O16 1 0.13180800 0.28678300 0.49828700 1.0 O O17 1 0.29595000 0.51320100 0.12422300 1.0 O O18 1 0.05237600 0.92101800 0.26529800 1.0 O O19 1 0.53170700 0.12430100 0.29315500 1.0 O O20 1 0.23888400 0.59015900 0.43311000 1.0 O O21 1 0.01004600 0.80672400 0.61323800 1.0 O O22 1 0.25762900 0.07620700 0.90753200 1.0 O O23 1 0.45502200 0.23320200 0.57689100 1.0 O O24 1 0.59196300 0.43354800 0.23963000 1.0 O O25 1 0.19978800 0.37865500 0.98985600 1.0 O O26 1 0.08925300 0.73420700 0.93046500 1.0 O O27 1 0.37074900 0.00493500 0.20769400 1.0 O O28 1 0.61322100 0.00639500 0.80912700 1.0 O O29 1 0.90630700 0.25739800 0.07287700 1.0 O O30 1 0.81061500 0.61233600 0.00812600 1.0 O O31 1 0.41301700 0.56290000 0.76838900 1.0 O O32 1 0.56129000 0.77272600 0.41304700 1.0 O O33 1 0.73305900 0.93041200 0.08717200 1.0 O O34 1 0.97232700 0.20071600 0.37736300 1.0 O O35 1 0.76877900 0.41265500 0.56220100 1.0 O O36 1 0.47047200 0.89218500 0.69439000 1.0 O O37 1 0.93262300 0.08727100 0.72974100 1.0 O O38 1 0.69363300 0.47787400 0.88830600 1.0 O O39 1 0.88891700 0.69260400 0.47790900 1.0