# generated using pymatgen data_Ni20GeAsP14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76189116 _cell_length_b 6.76189110 _cell_length_c 11.00002047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni20GeAsP14 _chemical_formula_sum 'Ni20 Ge1 As1 P14' _cell_volume 435.57249815 _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 Ni Ni0 1 0.92423829 0.46211864 0.37618418 1.0 Ni Ni1 1 0.46195195 0.53804805 0.87667500 1.0 Ni Ni2 1 0.00000000 0.00000000 0.19836704 1.0 Ni Ni3 1 0.00000000 0.00000000 0.69879382 1.0 Ni Ni4 1 0.53788136 0.07576171 0.37618418 1.0 Ni Ni5 1 0.46195195 0.92390591 0.87667500 1.0 Ni Ni6 1 0.07609409 0.53804805 0.87667500 1.0 Ni Ni7 1 0.53788136 0.46211864 0.37618418 1.0 Ni Ni8 1 0.79430934 0.20569066 0.74087228 1.0 Ni Ni9 1 0.58926815 0.79463408 0.24080229 1.0 Ni Ni10 1 0.20536592 0.41073185 0.24080229 1.0 Ni Ni11 1 0.79430934 0.58861869 0.74087228 1.0 Ni Ni12 1 0.41138131 0.20569066 0.74087228 1.0 Ni Ni13 1 0.20536592 0.79463408 0.24080229 1.0 Ni Ni14 1 0.45904366 0.54095634 0.58932139 1.0 Ni Ni15 1 0.91964882 0.45982391 0.08939906 1.0 Ni Ni16 1 0.54017609 0.08035118 0.08939906 1.0 Ni Ni17 1 0.45904366 0.91808833 0.58932139 1.0 Ni Ni18 1 0.08191167 0.54095634 0.58932139 1.0 Ni Ni19 1 0.54017609 0.45982391 0.08939906 1.0 Ge Ge20 1 0.66666700 0.33333300 0.55525410 1.0 As As21 1 0.33333300 0.66666700 0.05691721 1.0 P P22 1 0.00000000 0.00000000 0.50102704 1.0 P P23 1 0.00000000 0.00000000 0.00076577 1.0 P P24 1 0.82125306 0.17874694 0.94317120 1.0 P P25 1 0.64177921 0.82089060 0.44401951 1.0 P P26 1 0.17910940 0.35822079 0.44401951 1.0 P P27 1 0.82125306 0.64250312 0.94317120 1.0 P P28 1 0.35749688 0.17874694 0.94317120 1.0 P P29 1 0.17910940 0.82089060 0.44401951 1.0 P P30 1 0.18129326 0.81870674 0.73069628 1.0 P P31 1 0.36203635 0.18101817 0.23159816 1.0 P P32 1 0.81898183 0.63796365 0.23159816 1.0 P P33 1 0.18129326 0.36258752 0.73069628 1.0 P P34 1 0.63741248 0.81870674 0.73069628 1.0 P P35 1 0.81898183 0.18101817 0.23159816 1.0