# generated using pymatgen data_CsNi9P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48674702 _cell_length_b 6.48674663 _cell_length_c 10.91710163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000198 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNi9P5 _chemical_formula_sum 'Cs2 Ni18 P10' _cell_volume 397.82481762 _cell_formula_units_Z 2 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 Cs Cs0 1 0.00000000 0.00000000 0.00000000 1.0 Cs Cs1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.53606627 0.07213454 0.10855466 1.0 Ni Ni3 1 0.46393373 0.53606627 0.60855466 1.0 Ni Ni4 1 0.07213454 0.53606627 0.60855466 1.0 Ni Ni5 1 0.92786546 0.46393373 0.10855466 1.0 Ni Ni6 1 0.53606627 0.46393373 0.10855466 1.0 Ni Ni7 1 0.46393373 0.92786546 0.89144534 1.0 Ni Ni8 1 0.46393373 0.53606627 0.89144534 1.0 Ni Ni9 1 0.46393373 0.92786546 0.60855466 1.0 Ni Ni10 1 0.07213454 0.53606627 0.89144534 1.0 Ni Ni11 1 0.92786546 0.46393373 0.39144534 1.0 Ni Ni12 1 0.53606627 0.07213454 0.39144534 1.0 Ni Ni13 1 0.53606627 0.46393373 0.39144534 1.0 Ni Ni14 1 0.20436044 0.40871987 0.25000000 1.0 Ni Ni15 1 0.79563956 0.20436044 0.75000000 1.0 Ni Ni16 1 0.40871987 0.20436044 0.75000000 1.0 Ni Ni17 1 0.59128013 0.79563956 0.25000000 1.0 Ni Ni18 1 0.20436044 0.79563956 0.25000000 1.0 Ni Ni19 1 0.79563956 0.59128013 0.75000000 1.0 P P20 1 0.82370635 0.64741271 0.25000000 1.0 P P21 1 0.17629365 0.82370635 0.75000000 1.0 P P22 1 0.64741271 0.82370635 0.75000000 1.0 P P23 1 0.35258729 0.17629365 0.25000000 1.0 P P24 1 0.82370635 0.17629365 0.25000000 1.0 P P25 1 0.17629365 0.35258729 0.75000000 1.0 P P26 1 0.33333300 0.66666700 0.06162237 1.0 P P27 1 0.66666700 0.33333300 0.56162237 1.0 P P28 1 0.66666700 0.33333300 0.93837763 1.0 P P29 1 0.33333300 0.66666700 0.43837763 1.0