# generated using pymatgen data_NiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.02001800 _cell_length_b 4.79181000 _cell_length_c 7.01142452 _cell_angle_alpha 78.40955718 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiP4 _chemical_formula_sum 'Ni6 P24' _cell_volume 461.43134364 _cell_formula_units_Z 6 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 Ni Ni0 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni1 1 0.66994300 0.86048800 0.88334800 1.0 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.83005700 0.86048800 0.38334800 1.0 Ni Ni4 1 0.16994300 0.13951200 0.61665200 1.0 Ni Ni5 1 0.33005700 0.13951200 0.11665200 1.0 P P6 1 0.27239500 0.92166400 0.87111800 1.0 P P7 1 0.22760500 0.92166400 0.37111800 1.0 P P8 1 0.05192300 0.79092300 0.75326300 1.0 P P9 1 0.38455700 0.74220500 0.70265700 1.0 P P10 1 0.44807700 0.79092300 0.25326300 1.0 P P11 1 0.60726500 0.64523300 0.64071600 1.0 P P12 1 0.94552300 0.62411800 0.57363100 1.0 P P13 1 0.78224700 0.50006100 0.95722900 1.0 P P14 1 0.11544300 0.74220500 0.20265700 1.0 P P15 1 0.89273500 0.64523300 0.14071600 1.0 P P16 1 0.28224700 0.49993900 0.54277100 1.0 P P17 1 0.55447700 0.62411800 0.07363100 1.0 P P18 1 0.44552300 0.37588200 0.92636900 1.0 P P19 1 0.71775300 0.50006100 0.45722900 1.0 P P20 1 0.10726500 0.35476700 0.85928400 1.0 P P21 1 0.88455700 0.25779500 0.79734300 1.0 P P22 1 0.21775300 0.49993900 0.04277100 1.0 P P23 1 0.05447700 0.37588200 0.42636900 1.0 P P24 1 0.39273500 0.35476700 0.35928400 1.0 P P25 1 0.55192300 0.20907700 0.74673700 1.0 P P26 1 0.61544300 0.25779500 0.29734300 1.0 P P27 1 0.94807700 0.20907700 0.24673700 1.0 P P28 1 0.77239500 0.07833600 0.62888200 1.0 P P29 1 0.72760500 0.07833600 0.12888200 1.0