# generated using pymatgen data_MgSn3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82133800 _cell_length_b 7.86694300 _cell_length_c 10.48996759 _cell_angle_alpha 82.41761764 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn3P3O13 _chemical_formula_sum 'Mg2 Sn6 P6 O26' _cell_volume 558.00182449 _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 Mg Mg0 1 0.75000000 0.43553900 0.22526400 1.0 Mg Mg1 1 0.25000000 0.56446100 0.77473600 1.0 Sn Sn2 1 0.25000000 0.68394800 0.25665700 1.0 Sn Sn3 1 0.75000000 0.31605200 0.74334300 1.0 Sn Sn4 1 0.25000000 0.19699900 0.39263400 1.0 Sn Sn5 1 0.50000000 0.00000000 0.00000000 1.0 Sn Sn6 1 0.75000000 0.80300100 0.60736600 1.0 Sn Sn7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.69546500 0.52301300 1.0 P P9 1 0.75000000 0.30453500 0.47698700 1.0 P P10 1 0.25000000 0.21018500 0.73042800 1.0 P P11 1 0.75000000 0.78981500 0.26957200 1.0 P P12 1 0.75000000 0.64899100 0.92734000 1.0 P P13 1 0.25000000 0.35100900 0.07266000 1.0 O O14 1 0.75000000 0.55377500 0.80223200 1.0 O O15 1 0.57473200 0.31064800 0.38267100 1.0 O O16 1 0.25000000 0.12667600 0.60784200 1.0 O O17 1 0.56261400 0.76372700 0.91257700 1.0 O O18 1 0.75000000 0.46045200 0.55799100 1.0 O O19 1 0.75000000 0.12442400 0.89362600 1.0 O O20 1 0.25000000 0.53954800 0.44200900 1.0 O O21 1 0.06261400 0.23627300 0.08742300 1.0 O O22 1 0.25000000 0.84870300 0.41057900 1.0 O O23 1 0.75000000 0.15129700 0.58942100 1.0 O O24 1 0.07135600 0.33340200 0.74105200 1.0 O O25 1 0.25000000 0.87557600 0.10637400 1.0 O O26 1 0.57135600 0.66659800 0.25894800 1.0 O O27 1 0.75000000 0.51644000 0.04502900 1.0 O O28 1 0.75000000 0.87332400 0.39215800 1.0 O O29 1 0.43738600 0.23627300 0.08742300 1.0 O O30 1 0.92526800 0.31064800 0.38267100 1.0 O O31 1 0.42526800 0.68935200 0.61732900 1.0 O O32 1 0.42864400 0.33340200 0.74105200 1.0 O O33 1 0.25000000 0.44622500 0.19776800 1.0 O O34 1 0.75000000 0.93182400 0.14730900 1.0 O O35 1 0.25000000 0.06817600 0.85269100 1.0 O O36 1 0.92864400 0.66659800 0.25894800 1.0 O O37 1 0.93738600 0.76372700 0.91257700 1.0 O O38 1 0.07473200 0.68935200 0.61732900 1.0 O O39 1 0.25000000 0.48356000 0.95497100 1.0