# generated using pymatgen data_LiCr3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31354500 _cell_length_b 7.42164969 _cell_length_c 10.51839040 _cell_angle_alpha 100.12817520 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr3P3O13 _chemical_formula_sum 'Li2 Cr6 P6 O26' _cell_volume 485.17905559 _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 0.75000000 0.61548300 0.13866700 1.0 Li Li1 1 0.25000000 0.38451700 0.86133300 1.0 Cr Cr2 1 0.25000000 0.36400100 0.19790800 1.0 Cr Cr3 1 0.75000000 0.63599900 0.80209200 1.0 Cr Cr4 1 0.25000000 0.76941600 0.44864100 1.0 Cr Cr5 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr6 1 0.75000000 0.23058400 0.55135900 1.0 Cr Cr7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.21257600 0.47795500 1.0 P P9 1 0.75000000 0.78742400 0.52204500 1.0 P P10 1 0.25000000 0.73224800 0.77029500 1.0 P P11 1 0.75000000 0.26775200 0.22970500 1.0 P P12 1 0.75000000 0.30443500 0.87764400 1.0 P P13 1 0.25000000 0.69556500 0.12235700 1.0 O O14 1 0.75000000 0.35193200 0.73812400 1.0 O O15 1 0.55480300 0.73842300 0.43508900 1.0 O O16 1 0.25000000 0.79173800 0.63910600 1.0 O O17 1 0.54480000 0.20252900 0.90029600 1.0 O O18 1 0.75000000 0.66550000 0.62689800 1.0 O O19 1 0.75000000 0.86706100 0.90736400 1.0 O O20 1 0.25000000 0.33450000 0.37310200 1.0 O O21 1 0.04480000 0.79747100 0.09970400 1.0 O O22 1 0.25000000 0.01053600 0.40902600 1.0 O O23 1 0.75000000 0.98946400 0.59097400 1.0 O O24 1 0.06012200 0.61506900 0.79773500 1.0 O O25 1 0.25000000 0.13293900 0.09263600 1.0 O O26 1 0.56012200 0.38493100 0.20226500 1.0 O O27 1 0.75000000 0.50402700 0.95486700 1.0 O O28 1 0.75000000 0.20826200 0.36089400 1.0 O O29 1 0.45520000 0.79747100 0.09970400 1.0 O O30 1 0.94519700 0.73842300 0.43508900 1.0 O O31 1 0.44519700 0.26157700 0.56491100 1.0 O O32 1 0.43987800 0.61506900 0.79773500 1.0 O O33 1 0.25000000 0.64806800 0.26187600 1.0 O O34 1 0.75000000 0.08793600 0.12047100 1.0 O O35 1 0.25000000 0.91206400 0.87952900 1.0 O O36 1 0.93987800 0.38493100 0.20226500 1.0 O O37 1 0.95520000 0.20252900 0.90029600 1.0 O O38 1 0.05480300 0.26157700 0.56491100 1.0 O O39 1 0.25000000 0.49597300 0.04513300 1.0