# generated using pymatgen data_Mn2PO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91636811 _cell_length_b 8.33536772 _cell_length_c 8.40923273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PO5 _chemical_formula_sum 'Mn8 P4 O20' _cell_volume 414.70218465 _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 0.75969756 0.00000000 -0.00000000 1.0 Mn Mn1 1 0.24030244 0.00000000 -0.00000000 1.0 Mn Mn2 1 0.00000000 0.64730329 0.13100080 1.0 Mn Mn3 1 0.50000000 0.14730329 0.36899920 1.0 Mn Mn4 1 0.74030244 0.50000000 0.50000000 1.0 Mn Mn5 1 0.25969756 0.50000000 0.50000000 1.0 Mn Mn6 1 0.50000000 0.85269671 0.63100080 1.0 Mn Mn7 1 0.00000000 0.35269671 0.86899920 1.0 P P8 1 0.00000000 0.26896779 0.24605123 1.0 P P9 1 0.50000000 0.76896779 0.25394877 1.0 P P10 1 0.50000000 0.23103221 0.74605123 1.0 P P11 1 0.00000000 0.73103221 0.75394877 1.0 O O12 1 0.50000000 0.86598299 0.09208121 1.0 O O13 1 0.00000000 0.87546660 0.07940418 1.0 O O14 1 0.00000000 0.39843887 0.11581224 1.0 O O15 1 0.78809818 0.16499543 0.23460305 1.0 O O16 1 0.21190182 0.16499543 0.23460305 1.0 O O17 1 0.71190182 0.66499543 0.26539695 1.0 O O18 1 0.28809818 0.66499543 0.26539695 1.0 O O19 1 0.50000000 0.89843887 0.38418776 1.0 O O20 1 0.50000000 0.37546660 0.42059582 1.0 O O21 1 0.00000000 0.36598299 0.40791879 1.0 O O22 1 0.00000000 0.63401701 0.59208121 1.0 O O23 1 0.50000000 0.62453340 0.57940418 1.0 O O24 1 0.50000000 0.10156113 0.61581224 1.0 O O25 1 0.71190182 0.33500457 0.73460305 1.0 O O26 1 0.28809818 0.33500457 0.73460305 1.0 O O27 1 0.78809818 0.83500457 0.76539695 1.0 O O28 1 0.21190182 0.83500457 0.76539695 1.0 O O29 1 0.00000000 0.60156113 0.88418776 1.0 O O30 1 0.00000000 0.12453340 0.92059582 1.0 O O31 1 0.50000000 0.13401701 0.90791879 1.0