# generated using pymatgen data_Li7TiCr3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81259552 _cell_length_b 8.81259552 _cell_length_c 8.81259622 _cell_angle_alpha 60.45690458 _cell_angle_beta 60.45690458 _cell_angle_gamma 60.45690413 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7TiCr3(PO4)6 _chemical_formula_sum 'Li7 Ti1 Cr3 P6 O24' _cell_volume 488.94422506 _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 0.79847300 0.62875200 0.24834000 1.0 Li Li1 1 0.62875200 0.24834000 0.79847300 1.0 Li Li2 1 0.24834000 0.79847300 0.62875200 1.0 Li Li3 1 0.47457500 0.47457500 0.47457500 1.0 Li Li4 1 0.80079100 0.05908600 0.23597900 1.0 Li Li5 1 0.23597900 0.80079100 0.05908600 1.0 Li Li6 1 0.05908600 0.23597900 0.80079100 1.0 Ti Ti7 1 0.14364900 0.14364900 0.14364900 1.0 Cr Cr8 1 0.85429500 0.85429500 0.85429500 1.0 Cr Cr9 1 0.35266900 0.35266900 0.35266900 1.0 Cr Cr10 1 0.64448700 0.64448700 0.64448700 1.0 P P11 1 0.95436800 0.25381500 0.53786500 1.0 P P12 1 0.53786500 0.95436800 0.25381500 1.0 P P13 1 0.25381500 0.53786500 0.95436800 1.0 P P14 1 0.74824400 0.45598600 0.04543600 1.0 P P15 1 0.45598600 0.04543600 0.74824400 1.0 P P16 1 0.04543600 0.74824400 0.45598600 1.0 O O17 1 0.91172300 0.10234000 0.72866600 1.0 O O18 1 0.00046900 0.20428700 0.37296800 1.0 O O19 1 0.77263300 0.42518300 0.53988600 1.0 O O20 1 0.52773300 0.11413200 0.29019400 1.0 O O21 1 0.72866600 0.91172300 0.10234000 1.0 O O22 1 0.53988600 0.77263300 0.42518300 1.0 O O23 1 0.29019400 0.52773300 0.11413200 1.0 O O24 1 0.42518300 0.53988600 0.77263300 1.0 O O25 1 0.80023700 0.60912000 0.02709500 1.0 O O26 1 0.91309800 0.26554100 0.06270400 1.0 O O27 1 0.11413200 0.29019400 0.52773300 1.0 O O28 1 0.60912000 0.02709500 0.80023700 1.0 O O29 1 0.37296800 0.00046900 0.20428700 1.0 O O30 1 0.87425300 0.71581900 0.48811600 1.0 O O31 1 0.10234000 0.72866600 0.91172300 1.0 O O32 1 0.20428700 0.37296800 0.00046900 1.0 O O33 1 0.58588000 0.43042900 0.22848700 1.0 O O34 1 0.71581900 0.48811600 0.87425300 1.0 O O35 1 0.43042900 0.22848700 0.58588000 1.0 O O36 1 0.26554100 0.06270400 0.91309800 1.0 O O37 1 0.48811600 0.87425300 0.71581900 1.0 O O38 1 0.02709500 0.80023700 0.60912000 1.0 O O39 1 0.22848700 0.58588000 0.43042900 1.0 O O40 1 0.06270400 0.91309800 0.26554100 1.0