# generated using pymatgen data_Ca5Ni17Ge8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.34308763 _cell_length_b 13.34308763 _cell_length_c 4.03135300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 140.62229860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Ni17Ge8 _chemical_formula_sum 'Ca5 Ni17 Ge8' _cell_volume 455.35177195 _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 Ca Ca0 1 0.81773300 0.60752800 0.00000000 1.0 Ca Ca1 1 0.60752800 0.81773300 0.00000000 1.0 Ca Ca2 1 0.17929200 0.79097400 0.50000000 1.0 Ca Ca3 1 0.79097400 0.17929200 0.50000000 1.0 Ca Ca4 1 0.21851500 0.21851500 0.50000000 1.0 Ni Ni5 1 0.38184300 0.05011100 0.00000000 1.0 Ni Ni6 1 0.05011100 0.38184300 0.00000000 1.0 Ni Ni7 1 0.67276200 0.27506900 0.00000000 1.0 Ni Ni8 1 0.27506900 0.67276200 0.00000000 1.0 Ni Ni9 1 0.45090600 0.28186800 0.00000000 1.0 Ni Ni10 1 0.28186800 0.45090600 0.00000000 1.0 Ni Ni11 1 0.01169700 0.88420500 0.50000000 1.0 Ni Ni12 1 0.88420500 0.01169700 0.50000000 1.0 Ni Ni13 1 0.31057600 0.08792300 0.50000000 1.0 Ni Ni14 1 0.08792300 0.31057600 0.50000000 1.0 Ni Ni15 1 0.51640600 0.08742600 0.50000000 1.0 Ni Ni16 1 0.08742600 0.51640600 0.50000000 1.0 Ni Ni17 1 0.84497600 0.44250000 0.50000000 1.0 Ni Ni18 1 0.44250000 0.84497600 0.50000000 1.0 Ni Ni19 1 0.57233800 0.47376000 0.50000000 1.0 Ni Ni20 1 0.47376000 0.57233800 0.50000000 1.0 Ni Ni21 1 0.92664400 0.92664400 0.00000000 1.0 Ge Ge22 1 0.15634900 0.98671400 0.00000000 1.0 Ge Ge23 1 0.98671400 0.15634900 0.00000000 1.0 Ge Ge24 1 0.48155100 0.96102500 0.00000000 1.0 Ge Ge25 1 0.96102500 0.48155100 0.00000000 1.0 Ge Ge26 1 0.59040700 0.31486000 0.50000000 1.0 Ge Ge27 1 0.31486000 0.59040700 0.50000000 1.0 Ge Ge28 1 0.48221400 0.48221400 0.00000000 1.0 Ge Ge29 1 0.75806900 0.75806900 0.50000000 1.0