# generated using pymatgen data_Mn2AsO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02396897 _cell_length_b 8.64729966 _cell_length_c 8.46188928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AsO5 _chemical_formula_sum 'Mn8 As4 O20' _cell_volume 440.78882304 _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 0.73975523 0.50000000 0.50000000 1.0 Mn Mn1 1 0.76024477 -0.00000000 -0.00000000 1.0 Mn Mn2 1 0.26024477 0.50000000 0.50000000 1.0 Mn Mn3 1 0.23975523 -0.00000000 -0.00000000 1.0 Mn Mn4 1 -0.00000000 0.87360051 0.35274359 1.0 Mn Mn5 1 -0.00000000 0.12639949 0.64725641 1.0 Mn Mn6 1 0.50000000 0.37360051 0.14725641 1.0 Mn Mn7 1 0.50000000 0.62639949 0.85274359 1.0 As As8 1 0.50000000 0.74510839 0.23887860 1.0 As As9 1 0.50000000 0.25489161 0.76112140 1.0 As As10 1 -0.00000000 0.24510839 0.26112140 1.0 As As11 1 -0.00000000 0.75489161 0.73887860 1.0 O O12 1 -0.00000000 0.92971108 0.13177875 1.0 O O13 1 -0.00000000 0.07028892 0.86822125 1.0 O O14 1 0.50000000 0.42971108 0.36822125 1.0 O O15 1 0.50000000 0.57028892 0.63177875 1.0 O O16 1 0.50000000 0.91755711 0.13427062 1.0 O O17 1 0.50000000 0.08244289 0.86572938 1.0 O O18 1 -0.00000000 0.41755711 0.36572938 1.0 O O19 1 -0.00000000 0.58244289 0.63427062 1.0 O O20 1 0.50000000 0.60758554 0.09518716 1.0 O O21 1 0.50000000 0.39241446 0.90481284 1.0 O O22 1 -0.00000000 0.10758554 0.40481284 1.0 O O23 1 -0.00000000 0.89241446 0.59518716 1.0 O O24 1 0.73039688 0.72994337 0.35241152 1.0 O O25 1 0.73039688 0.27005663 0.64758848 1.0 O O26 1 0.76960312 0.22994337 0.14758848 1.0 O O27 1 0.76960312 0.77005663 0.85241152 1.0 O O28 1 0.26960312 0.27005663 0.64758848 1.0 O O29 1 0.26960312 0.72994337 0.35241152 1.0 O O30 1 0.23039688 0.77005663 0.85241152 1.0 O O31 1 0.23039688 0.22994337 0.14758848 1.0