# generated using pymatgen data_Mn2PO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33192645 _cell_length_b 7.60202023 _cell_length_c 7.78849457 _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 374.90255829 _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 0.00000000 0.00000000 -0.00000000 1.0 Mn Mn1 1 0.50000000 0.00000000 -0.00000000 1.0 Mn Mn2 1 0.25000000 0.14469138 0.67960832 1.0 Mn Mn3 1 0.75000000 0.35530862 0.17960832 1.0 Mn Mn4 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn5 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn6 1 0.25000000 0.64469138 0.82039168 1.0 Mn Mn7 1 0.75000000 0.85530862 0.32039168 1.0 P P8 1 0.75000000 0.13404450 0.66380382 1.0 P P9 1 0.25000000 0.36595550 0.16380382 1.0 P P10 1 0.75000000 0.63404450 0.83619618 1.0 P P11 1 0.25000000 0.86595550 0.33619618 1.0 O O12 1 0.25000000 0.02089394 0.45520770 1.0 O O13 1 0.75000000 0.09414143 0.10956062 1.0 O O14 1 0.94772225 0.13043836 0.78231713 1.0 O O15 1 0.55227775 0.13043836 0.78231713 1.0 O O16 1 0.25000000 0.19076664 0.06708784 1.0 O O17 1 0.75000000 0.30923336 0.56708784 1.0 O O18 1 0.05227775 0.36956164 0.28231713 1.0 O O19 1 0.44772225 0.36956164 0.28231713 1.0 O O20 1 0.25000000 0.40585857 0.60956062 1.0 O O21 1 0.75000000 0.47910606 0.95520770 1.0 O O22 1 0.25000000 0.52089394 0.04479230 1.0 O O23 1 0.75000000 0.59414143 0.39043938 1.0 O O24 1 0.55227775 0.63043836 0.71768287 1.0 O O25 1 0.94772225 0.63043836 0.71768287 1.0 O O26 1 0.25000000 0.69076664 0.43291216 1.0 O O27 1 0.75000000 0.80923336 0.93291216 1.0 O O28 1 0.05227775 0.86956164 0.21768287 1.0 O O29 1 0.44772225 0.86956164 0.21768287 1.0 O O30 1 0.25000000 0.90585857 0.89043938 1.0 O O31 1 0.75000000 0.97910606 0.54479230 1.0