# generated using pymatgen data_Pa2Si3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98178039 _cell_length_b 4.00001205 _cell_length_c 6.80065325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Si3Ni _chemical_formula_sum 'Pa2 Si3 Ni1' _cell_volume 108.31515738 _cell_formula_units_Z 1 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 Pa Pa0 1 0.00000000 0.50000000 0.00273693 1.0 Pa Pa1 1 0.00000000 0.00000000 0.50167769 1.0 Si Si2 1 0.50000000 0.00000000 0.83224591 1.0 Si Si3 1 0.50000000 0.00000000 0.17610703 1.0 Si Si4 1 0.50000000 0.50000000 0.65764845 1.0 Ni Ni5 1 0.50000000 0.50000000 0.32958400 1.0