# generated using pymatgen data_MgP3NO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68214807 _cell_length_b 6.68214807 _cell_length_c 9.96763700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000069 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgP3NO9 _chemical_formula_sum 'Mg2 P6 N2 O18' _cell_volume 385.43844633 _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 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.00000000 0.50000000 1.0 P P2 1 0.72532900 0.10882400 0.25000000 1.0 P P3 1 0.89117600 0.61650500 0.25000000 1.0 P P4 1 0.72532900 0.61650500 0.75000000 1.0 P P5 1 0.38349500 0.27467100 0.25000000 1.0 P P6 1 0.89117600 0.27467100 0.75000000 1.0 P P7 1 0.38349500 0.10882400 0.75000000 1.0 N N8 1 0.33333300 0.66666700 0.00000000 1.0 N N9 1 0.33333300 0.66666700 0.50000000 1.0 O O10 1 0.25581500 0.24964700 0.12207000 1.0 O O11 1 0.75035300 0.00616800 0.12207000 1.0 O O12 1 0.25581500 0.24964700 0.37793000 1.0 O O13 1 0.25581500 0.00616800 0.62207000 1.0 O O14 1 0.99383200 0.74418500 0.12207000 1.0 O O15 1 0.75035300 0.00616800 0.37793000 1.0 O O16 1 0.75035300 0.74418500 0.62207000 1.0 O O17 1 0.25581500 0.00616800 0.87793000 1.0 O O18 1 0.99383200 0.74418500 0.37793000 1.0 O O19 1 0.75035300 0.74418500 0.87793000 1.0 O O20 1 0.99383200 0.24964700 0.62207000 1.0 O O21 1 0.99383200 0.24964700 0.87793000 1.0 O O22 1 0.47818500 0.09474700 0.25000000 1.0 O O23 1 0.90525300 0.38343800 0.25000000 1.0 O O24 1 0.47818500 0.38343800 0.75000000 1.0 O O25 1 0.61656200 0.52181500 0.25000000 1.0 O O26 1 0.90525300 0.52181500 0.75000000 1.0 O O27 1 0.61656200 0.09474700 0.75000000 1.0