# generated using pymatgen data_NdAsO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75477916 _cell_length_b 5.75932748 _cell_length_c 14.84704352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAsO _chemical_formula_sum 'Nd8 As8 O8' _cell_volume 492.08532858 _cell_formula_units_Z 8 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 Nd Nd0 1 0.99956360 0.25000462 0.07855998 1.0 Nd Nd1 1 0.00043640 0.74999538 0.92144002 1.0 Nd Nd2 1 0.00043640 0.74999538 0.57855998 1.0 Nd Nd3 1 0.49956360 0.74999538 0.42144002 1.0 Nd Nd4 1 0.99956360 0.25000462 0.42144002 1.0 Nd Nd5 1 0.50043640 0.25000462 0.57855998 1.0 Nd Nd6 1 0.50043640 0.25000462 0.92144002 1.0 Nd Nd7 1 0.49956360 0.74999538 0.07855998 1.0 As As8 1 0.22754134 0.96670052 0.25000000 1.0 As As9 1 0.77245866 0.03329948 0.75000000 1.0 As As10 1 0.72754134 0.03329948 0.25000000 1.0 As As11 1 0.27245866 0.96670052 0.75000000 1.0 As As12 1 0.22659009 0.53373308 0.25000000 1.0 As As13 1 0.77340991 0.46626692 0.75000000 1.0 As As14 1 0.72659009 0.46626692 0.25000000 1.0 As As15 1 0.27340991 0.53373308 0.75000000 1.0 O O16 1 0.25000000 0.00005468 0.00000000 1.0 O O17 1 0.75000000 0.99994532 0.00000000 1.0 O O18 1 0.75000000 0.99994532 0.50000000 1.0 O O19 1 0.25000000 0.00005468 0.50000000 1.0 O O20 1 0.25000000 0.49993581 0.00000000 1.0 O O21 1 0.75000000 0.50006419 0.00000000 1.0 O O22 1 0.75000000 0.50006419 0.50000000 1.0 O O23 1 0.25000000 0.49993581 0.50000000 1.0