# generated using pymatgen data_Mn3(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07117758 _cell_length_b 7.08445815 _cell_length_c 9.39182409 _cell_angle_alpha 70.02909737 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(P2O7)2 _chemical_formula_sum 'Mn6 P8 O28' _cell_volume 504.73046522 _cell_formula_units_Z 2 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 0.13053724 0.80589038 0.02636640 1.0 Mn Mn1 1 0.36946276 0.80589038 0.52636640 1.0 Mn Mn2 1 0.86946276 0.19410962 0.97363360 1.0 Mn Mn3 1 0.63053724 0.19410962 0.47363360 1.0 Mn Mn4 1 0.00000000 -0.00000000 0.50000000 1.0 Mn Mn5 1 0.50000000 -0.00000000 -0.00000000 1.0 P P6 1 0.46386086 0.59831943 0.29309355 1.0 P P7 1 0.28171815 0.10700036 0.69915113 1.0 P P8 1 0.21828185 0.10700036 0.19915113 1.0 P P9 1 0.71828185 0.89299964 0.30084887 1.0 P P10 1 0.03613914 0.59831943 0.79309355 1.0 P P11 1 0.78171815 0.89299964 0.80084887 1.0 P P12 1 0.53613914 0.40168057 0.70690645 1.0 P P13 1 0.96386086 0.40168057 0.20690645 1.0 O O14 1 0.61751511 0.86177228 0.87694069 1.0 O O15 1 0.90848487 0.98088029 0.88406937 1.0 O O16 1 0.39501700 0.72006380 0.13826466 1.0 O O17 1 0.35799643 0.62569587 0.41820677 1.0 O O18 1 0.35474012 0.31653626 0.69334272 1.0 O O19 1 0.85799643 0.37430413 0.08179323 1.0 O O20 1 0.72229438 0.00983639 0.12934382 1.0 O O21 1 0.00435997 0.37856281 0.81768416 1.0 O O22 1 0.40848487 0.01911971 0.61593063 1.0 O O23 1 0.99564003 0.62143719 0.18231584 1.0 O O24 1 0.14200357 0.62569587 0.91820677 1.0 O O25 1 0.85474012 0.68346374 0.80665728 1.0 O O26 1 0.88248489 0.86177228 0.37694069 1.0 O O27 1 0.38248489 0.13822772 0.12305931 1.0 O O28 1 0.11751511 0.13822772 0.62305931 1.0 O O29 1 0.27770562 0.99016361 0.87065618 1.0 O O30 1 0.50435997 0.62143719 0.68231584 1.0 O O31 1 0.14525988 0.31653626 0.19334272 1.0 O O32 1 0.64525988 0.68346374 0.30665728 1.0 O O33 1 0.89501700 0.27993620 0.36173534 1.0 O O34 1 0.49564003 0.37856281 0.31768416 1.0 O O35 1 0.09151513 0.01911971 0.11593063 1.0 O O36 1 0.64200357 0.37430413 0.58179323 1.0 O O37 1 0.59151513 0.98088029 0.38406937 1.0 O O38 1 0.22229438 0.99016361 0.37065618 1.0 O O39 1 0.10498300 0.72006380 0.63826466 1.0 O O40 1 0.77770562 0.00983639 0.62934382 1.0 O O41 1 0.60498300 0.27993620 0.86173534 1.0