# generated using pymatgen data_CaNi9P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44823022 _cell_length_b 6.44823026 _cell_length_c 10.61260672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000479 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi9P5 _chemical_formula_sum 'Ca2 Ni18 P10' _cell_volume 382.14990315 _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 Ca Ca0 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.46399840 0.92799780 0.89250933 1.0 Ni Ni3 1 0.92799780 0.46399840 0.10749067 1.0 Ni Ni4 1 0.53600160 0.07200220 0.10749067 1.0 Ni Ni5 1 0.07200220 0.53600160 0.60749067 1.0 Ni Ni6 1 0.20285985 0.40571870 0.25000000 1.0 Ni Ni7 1 0.79714015 0.20285985 0.75000000 1.0 Ni Ni8 1 0.40571870 0.20285985 0.75000000 1.0 Ni Ni9 1 0.59428130 0.79714015 0.25000000 1.0 Ni Ni10 1 0.20285985 0.79714015 0.25000000 1.0 Ni Ni11 1 0.79714015 0.59428130 0.75000000 1.0 Ni Ni12 1 0.46399840 0.92799780 0.60749067 1.0 Ni Ni13 1 0.53600160 0.46399840 0.39250933 1.0 Ni Ni14 1 0.92799780 0.46399840 0.39250933 1.0 Ni Ni15 1 0.07200220 0.53600160 0.89250933 1.0 Ni Ni16 1 0.46399840 0.53600160 0.89250933 1.0 Ni Ni17 1 0.53600160 0.07200220 0.39250933 1.0 Ni Ni18 1 0.53600160 0.46399840 0.10749067 1.0 Ni Ni19 1 0.46399840 0.53600160 0.60749067 1.0 P P20 1 0.17224023 0.34448146 0.75000000 1.0 P P21 1 0.82775977 0.17224023 0.25000000 1.0 P P22 1 0.17224023 0.82775977 0.75000000 1.0 P P23 1 0.82775977 0.65551854 0.25000000 1.0 P P24 1 0.33333300 0.66666700 0.43842961 1.0 P P25 1 0.66666700 0.33333300 0.93842961 1.0 P P26 1 0.66666700 0.33333300 0.56157039 1.0 P P27 1 0.33333300 0.66666700 0.06157039 1.0 P P28 1 0.34448146 0.17224023 0.25000000 1.0 P P29 1 0.65551854 0.82775977 0.75000000 1.0