# generated using pymatgen data_SrHfPa2Sb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46563386 _cell_length_b 9.46749024 _cell_length_c 6.28146973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99351041 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfPa2Sb5 _chemical_formula_sum 'Sr2 Hf2 Pa4 Sb10' _cell_volume 487.53395334 _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 Sr Sr0 1 0.61349678 0.00000000 0.25000000 1.0 Sr Sr1 1 0.38650322 1.00000000 0.75000000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf3 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa4 1 0.00906617 0.61430691 0.25000000 1.0 Pa Pa5 1 0.99093383 0.38569309 0.75000000 1.0 Pa Pa6 1 0.39475825 0.38569309 0.25000000 1.0 Pa Pa7 1 0.60524175 0.61430691 0.75000000 1.0 Sb Sb8 1 0.25638812 0.00000000 0.25000000 1.0 Sb Sb9 1 0.74361188 1.00000000 0.75000000 1.0 Sb Sb10 1 0.01100247 0.26899726 0.25000000 1.0 Sb Sb11 1 0.98899753 0.73100274 0.75000000 1.0 Sb Sb12 1 0.74200622 0.73100274 0.25000000 1.0 Sb Sb13 1 0.25799378 0.26899726 0.75000000 1.0 Sb Sb14 1 0.32374629 0.64749258 0.00000000 1.0 Sb Sb15 1 0.67625371 0.35250742 0.00000000 1.0 Sb Sb16 1 0.67625371 0.35250742 0.50000000 1.0 Sb Sb17 1 0.32374629 0.64749258 0.50000000 1.0