# generated using pymatgen data_Mn2CrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93782624 _cell_length_b 5.96423125 _cell_length_c 10.36455819 _cell_angle_alpha 75.44831521 _cell_angle_beta 74.33033313 _cell_angle_gamma 61.35856563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrO4 _chemical_formula_sum 'Mn8 Cr4 O16' _cell_volume 306.93113429 _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 Mn Mn0 1 0.56502780 0.56429950 0.81007359 1.0 Mn Mn1 1 0.23625884 0.26354687 0.75004465 1.0 Mn Mn2 1 0.92430106 0.94635628 0.68953765 1.0 Mn Mn3 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn4 1 0.07569894 0.05364372 0.31046235 1.0 Mn Mn5 1 0.43497220 0.43570050 0.18992641 1.0 Mn Mn6 1 0.76374116 0.73645313 0.24995535 1.0 Mn Mn7 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr8 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr9 1 -0.00000000 0.50000000 0.50000000 1.0 Cr Cr10 1 -0.00000000 0.50000000 0.00000000 1.0 Cr Cr11 1 -0.00000000 0.00000000 0.00000000 1.0 O O12 1 0.57783262 0.15625561 0.61966785 1.0 O O13 1 0.11270478 0.17026855 0.62857515 1.0 O O14 1 0.85800594 0.37981062 0.39337989 1.0 O O15 1 0.36848073 0.35177027 0.39756394 1.0 O O16 1 0.63151927 0.64822973 0.60243606 1.0 O O17 1 0.14199406 0.62018938 0.60662011 1.0 O O18 1 0.88729522 0.82973145 0.37142485 1.0 O O19 1 0.42216738 0.84374439 0.38033215 1.0 O O20 1 0.64024554 0.10703932 0.10816898 1.0 O O21 1 0.13591362 0.14147459 0.10317564 1.0 O O22 1 0.90673427 0.34561383 0.88364902 1.0 O O23 1 0.09326573 0.65438617 0.11635098 1.0 O O24 1 0.34003748 0.37792597 0.87206367 1.0 O O25 1 0.65996252 0.62207403 0.12793633 1.0 O O26 1 0.35975446 0.89296068 0.89183102 1.0 O O27 1 0.86408638 0.85852541 0.89682436 1.0