# generated using pymatgen data_Mg3Pa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62690605 _cell_length_b 6.62690605 _cell_length_c 5.14615800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Pa _chemical_formula_sum 'Mg6 Pa2' _cell_volume 195.72007459 _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 0.16358800 0.32717600 0.25000000 1.0 Mg Mg1 1 0.16358800 0.83641200 0.25000000 1.0 Mg Mg2 1 0.67282400 0.83641200 0.25000000 1.0 Mg Mg3 1 0.32717600 0.16358800 0.75000000 1.0 Mg Mg4 1 0.83641200 0.16358800 0.75000000 1.0 Mg Mg5 1 0.83641200 0.67282400 0.75000000 1.0 Pa Pa6 1 0.66666700 0.33333300 0.25000000 1.0 Pa Pa7 1 0.33333300 0.66666700 0.75000000 1.0