# generated using pymatgen data_SrCr2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14711275 _cell_length_b 5.93138631 _cell_length_c 11.60267794 _cell_angle_alpha 89.99997825 _cell_angle_beta 89.99994696 _cell_angle_gamma 90.00001068 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2O4 _chemical_formula_sum 'Sr4 Cr8 O16' _cell_volume 354.22411978 _cell_formula_units_Z 4 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 Sr Sr0 1 0.85864227 0.25000102 0.74999977 1.0 Sr Sr1 1 0.14135703 0.75000021 0.24999958 1.0 Sr Sr2 1 0.54492762 0.25000009 0.24999963 1.0 Sr Sr3 1 0.45507272 0.75000042 0.74999969 1.0 Cr Cr4 1 0.50353850 0.75000043 0.00699566 1.0 Cr Cr5 1 0.49645947 0.25000015 0.99300497 1.0 Cr Cr6 1 0.00000081 0.49999907 0.50000003 1.0 Cr Cr7 1 0.00000085 0.00000022 0.50000021 1.0 Cr Cr8 1 0.50354060 0.74999960 0.49300473 1.0 Cr Cr9 1 0.49646185 0.24999933 0.50699536 1.0 Cr Cr10 1 -0.00000117 0.00000036 0.00000002 1.0 Cr Cr11 1 -0.00000107 0.50000006 0.00000011 1.0 O O12 1 0.83561192 0.74999967 0.40938964 1.0 O O13 1 0.83560940 0.75000017 0.09061019 1.0 O O14 1 0.16439068 0.24999946 0.59061022 1.0 O O15 1 0.16438933 0.25000042 0.90938902 1.0 O O16 1 0.17198902 0.74999935 0.58392997 1.0 O O17 1 0.17198808 0.75000029 0.91606964 1.0 O O18 1 0.82801293 0.24999952 0.41606897 1.0 O O19 1 0.82801009 0.25000019 0.08393009 1.0 O O20 1 0.66497054 0.50313737 0.59312289 1.0 O O21 1 0.66496940 0.99686227 0.90687661 1.0 O O22 1 0.33503098 0.00313757 0.40687761 1.0 O O23 1 0.33502797 0.49686195 0.09312211 1.0 O O24 1 0.33503086 0.49686180 0.40687749 1.0 O O25 1 0.33502809 0.00313865 0.09312210 1.0 O O26 1 0.66497074 0.99686184 0.59312299 1.0 O O27 1 0.66496949 0.50313854 0.90687670 1.0