# generated using pymatgen data_NdPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96977536 _cell_length_b 6.40769441 _cell_length_c 8.14023728 _cell_angle_alpha 53.72632623 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdPO4 _chemical_formula_sum 'Nd4 P4 O16' _cell_volume 293.08969351 _cell_formula_units_Z 4 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 0.65725598 0.18236523 0.21816076 1.0 Nd Nd1 1 0.15725598 0.81763477 0.28183924 1.0 Nd Nd2 1 0.34274402 0.81763477 0.78183924 1.0 Nd Nd3 1 0.84274402 0.18236523 0.71816076 1.0 P P4 1 0.66214956 0.69023899 0.19692431 1.0 P P5 1 0.16214956 0.30976101 0.30307569 1.0 P P6 1 0.33785044 0.30976101 0.80307569 1.0 P P7 1 0.83785044 0.69023899 0.69692431 1.0 O O8 1 0.71220578 0.41325876 0.37532461 1.0 O O9 1 0.21220578 0.58674124 0.12467539 1.0 O O10 1 0.28779422 0.58674124 0.62467539 1.0 O O11 1 0.78779422 0.41325876 0.87532461 1.0 O O12 1 0.60473078 0.66450974 0.02737120 1.0 O O13 1 0.10473078 0.33549026 0.47262880 1.0 O O14 1 0.39526922 0.33549026 0.97262880 1.0 O O15 1 0.89526922 0.66450974 0.52737120 1.0 O O16 1 0.99521926 0.80813427 0.75044103 1.0 O O17 1 0.49521926 0.19186573 0.74955897 1.0 O O18 1 0.00478074 0.19186573 0.24955897 1.0 O O19 1 0.50478074 0.80813427 0.25044103 1.0 O O20 1 0.66753267 0.88195592 0.61868933 1.0 O O21 1 0.16753267 0.11804408 0.88131067 1.0 O O22 1 0.33246733 0.11804408 0.38131067 1.0 O O23 1 0.83246733 0.88195592 0.11868933 1.0