# generated using pymatgen data_MgCr3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24339668 _cell_length_b 9.67197186 _cell_length_c 10.09474867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr3O7 _chemical_formula_sum 'Mg4 Cr12 O28' _cell_volume 511.94493404 _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 Mg Mg0 1 0.34722981 0.07170810 0.25000000 1.0 Mg Mg1 1 0.84722981 0.42829190 0.75000000 1.0 Mg Mg2 1 0.65277019 0.92829190 0.75000000 1.0 Mg Mg3 1 0.15277019 0.57170810 0.25000000 1.0 Cr Cr4 1 0.71647900 0.68798379 0.97929274 1.0 Cr Cr5 1 0.21647900 0.81201621 0.02070726 1.0 Cr Cr6 1 0.28352100 0.31201621 0.47929274 1.0 Cr Cr7 1 0.78352100 0.18798379 0.52070726 1.0 Cr Cr8 1 0.70620406 0.78302912 0.25000000 1.0 Cr Cr9 1 0.20620406 0.71697088 0.75000000 1.0 Cr Cr10 1 0.29379594 0.21697088 0.75000000 1.0 Cr Cr11 1 0.79379594 0.28302912 0.25000000 1.0 Cr Cr12 1 0.21647900 0.81201621 0.47929274 1.0 Cr Cr13 1 0.71647900 0.68798379 0.52070726 1.0 Cr Cr14 1 0.78352100 0.18798379 0.97929274 1.0 Cr Cr15 1 0.28352100 0.31201621 0.02070726 1.0 O O16 1 0.04358175 0.28108076 0.87888679 1.0 O O17 1 0.54358175 0.21891924 0.12111321 1.0 O O18 1 0.95641825 0.71891924 0.37888679 1.0 O O19 1 0.45641825 0.78108076 0.62111321 1.0 O O20 1 0.95641825 0.71891924 0.12111321 1.0 O O21 1 0.45641825 0.78108076 0.87888679 1.0 O O22 1 0.04358175 0.28108076 0.62111321 1.0 O O23 1 0.54358175 0.21891924 0.37888679 1.0 O O24 1 0.52616591 0.28292949 0.88024503 1.0 O O25 1 0.02616591 0.21707051 0.11975497 1.0 O O26 1 0.47383409 0.71707051 0.38024503 1.0 O O27 1 0.97383409 0.78292949 0.61975497 1.0 O O28 1 0.47383409 0.71707051 0.11975497 1.0 O O29 1 0.97383409 0.78292949 0.88024503 1.0 O O30 1 0.52616591 0.28292949 0.61975497 1.0 O O31 1 0.02616591 0.21707051 0.38024503 1.0 O O32 1 0.82167228 0.45459141 0.25000000 1.0 O O33 1 0.32167228 0.04540859 0.75000000 1.0 O O34 1 0.17832772 0.54540859 0.75000000 1.0 O O35 1 0.67832772 0.95459141 0.25000000 1.0 O O36 1 0.76458664 0.03212002 0.58607709 1.0 O O37 1 0.26458664 0.46787998 0.41392291 1.0 O O38 1 0.23541336 0.96787998 0.08607709 1.0 O O39 1 0.73541336 0.53212002 0.91392291 1.0 O O40 1 0.23541336 0.96787998 0.41392291 1.0 O O41 1 0.73541336 0.53212002 0.58607709 1.0 O O42 1 0.76458664 0.03212002 0.91392291 1.0 O O43 1 0.26458664 0.46787998 0.08607709 1.0